``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:` +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy` -yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs -yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo` .sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh: `sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+ `-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.` +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:` syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo /yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh -yh- ```````````````` ````````` `` `` oys -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd: shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh` S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, http://arxiv.org/abs/1604.03525 Program EPW v.4.0.0 (svn rev. 12530) starts on 22Jun2016 at 17:25:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote HOST : @host@ ARCH : x86_64 CC : cc CPP : cpp F90 : mpif90 F77 : gfortran DFLAGS : -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA BLAS LIBS : /home/sponce/program/espresso/BLAS/blas.a LAPACK LIBS : /home/sponce/program/espresso/lapack-3.2/lapack.a FFT LIBS : MASS LIBS : Parallel version (MPI), running on 4 processors K-points division: npool = 4 Reading data from directory: ./diam.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file C_3.98148.UPF: wavefunction(s) 3d renormalized G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 367 367 121 4645 4645 893 Possibly too few bands at point 1 0.00000 0.00000 0.00000 Possibly too few bands at point 2 -0.33333 0.33333 -0.33333 Possibly too few bands at point 3 -0.66667 0.66667 -0.66667 Possibly too few bands at point 4 0.33333 0.33333 0.33333 Possibly too few bands at point 5 0.00000 0.66667 0.00000 Possibly too few bands at point 6 -0.33333 1.00000 -0.33333 Possibly too few bands at point 7 0.66667 0.66667 0.66667 autoval = -.1058E+01 Irreps are as follows: mode # 1 ( -0.56521 -0.00000 ) ( 0.42053 -0.00000 ) ( -0.06081 -0.00000 ) ( 0.56521 -0.00000 ) ( -0.42053 -0.00000 ) ( 0.06081 -0.00000 ) autoval = -.1058E+01 Irreps are as follows: mode # 2 ( -0.04916 -0.00000 ) ( 0.03580 -0.00000 ) ( 0.70449 -0.00000 ) ( 0.04916 -0.00000 ) ( -0.03580 -0.00000 ) ( -0.70449 -0.00000 ) autoval = -.1058E+01 Irreps are as follows: mode # 3 ( -0.42205 -0.00000 ) ( -0.56734 -0.00000 ) ( -0.00062 -0.00000 ) ( 0.42205 0.00000 ) ( 0.56734 0.00000 ) ( 0.00062 0.00000 ) autoval = -.3035E+00 Irreps are as follows: mode # 4 ( -0.48720 -0.00000 ) ( 0.51142 0.00000 ) ( 0.03302 0.00000 ) ( -0.48720 -0.00000 ) ( 0.51142 0.00000 ) ( 0.03302 0.00000 ) autoval = -.3035E+00 Irreps are as follows: mode # 5 ( -0.04899 -0.00000 ) ( -0.00113 -0.00000 ) ( -0.70541 -0.00000 ) ( -0.04899 -0.00000 ) ( -0.00113 -0.00000 ) ( -0.70541 -0.00000 ) autoval = -.3035E+00 Irreps are as follows: mode # 6 ( -0.51013 -0.00000 ) ( -0.48832 -0.00000 ) ( 0.03621 -0.00000 ) ( -0.51013 -0.00000 ) ( -0.48832 -0.00000 ) ( 0.03621 -0.00000 ) -- bravais-lattice index = 2 lattice parameter (a_0) = 6.6425 a.u. unit-cell volume = 73.2698 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 240.0000 Ry convergence threshold = 0.0E+00 beta = 0.0000 number of iterations used = 0 Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) celldm(1)= 6.64245 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( -0.5000 0.0000 0.5000 ) a(2) = ( 0.0000 0.5000 0.5000 ) a(3) = ( -0.5000 0.5000 0.0000 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( -1.0000 -1.0000 1.0000 ) b(2) = ( 1.0000 1.0000 1.0000 ) b(3) = ( -1.0000 1.0000 -1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 C 12.0118 tau( 1) = ( 0.00000 0.00000 0.00000 ) 2 C 12.0118 tau( 2) = ( 0.25000 0.25000 0.25000 ) 49 Sym.Ops. (with q -> -q+G ) s frac. trans. isym = 1 ÿÿÿÿÿÿÿÿÿ cryst. s( 1) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 1) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 2 ÿÿÿÿÿÿÿÿÿ cryst. s( 2) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 2) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 3 ÿÿÿÿÿÿÿÿÿ cryst. s( 3) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 3) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 4 ÿÿÿÿÿÿÿÿÿ cryst. s( 4) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 4) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 5 ÿÿÿÿÿÿÿÿÿ cryst. s( 5) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 5) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 6 ÿÿÿÿÿÿÿÿÿ cryst. s( 6) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 6) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 7 ÿÿÿÿÿÿÿÿÿ cryst. s( 7) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 7) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 8 ÿÿÿÿÿÿÿÿÿ cryst. s( 8) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 8) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 9 ÿÿÿÿÿÿÿÿÿ cryst. s( 9) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s( 9) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 10 ÿÿÿÿÿÿÿÿÿ cryst. s(10) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(10) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 11 ÿÿÿÿÿÿÿÿÿ cryst. s(11) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(11) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 12 ÿÿÿÿÿÿÿÿÿ cryst. s(12) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(12) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 13 ÿÿÿÿÿÿÿÿÿ cryst. s(13) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(13) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 14 ÿÿÿÿÿÿÿÿÿ cryst. s(14) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(14) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 15 ÿÿÿÿÿÿÿÿÿ cryst. s(15) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(15) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 16 ÿÿÿÿÿÿÿÿÿ cryst. s(16) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(16) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 17 ÿÿÿÿÿÿÿÿÿ cryst. s(17) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(17) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 18 ÿÿÿÿÿÿÿÿÿ cryst. s(18) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(18) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 19 ÿÿÿÿÿÿÿÿÿ cryst. s(19) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(19) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 20 ÿÿÿÿÿÿÿÿÿ cryst. s(20) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(20) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 21 ÿÿÿÿÿÿÿÿÿ cryst. s(21) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(21) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 22 ÿÿÿÿÿÿÿÿÿ cryst. s(22) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(22) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 23 ÿÿÿÿÿÿÿÿÿ cryst. s(23) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(23) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 24 ÿÿÿÿÿÿÿÿÿ cryst. s(24) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(24) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 25 ÿÿÿÿÿÿÿÿÿ cryst. s(25) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(25) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 26 ÿÿÿÿÿÿÿÿÿ cryst. s(26) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(26) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 27 ÿÿÿÿÿÿÿÿÿ cryst. s(27) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(27) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 28 ÿÿÿÿÿÿÿÿÿ cryst. s(28) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(28) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 29 ÿÿÿÿÿÿÿÿÿ cryst. s(29) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(29) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 30 ÿÿÿÿÿÿÿÿÿ cryst. s(30) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(30) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 31 ÿÿÿÿÿÿÿÿÿ cryst. s(31) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(31) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 32 ÿÿÿÿÿÿÿÿÿ cryst. s(32) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(32) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 33 ÿÿÿÿÿÿÿÿÿ cryst. s(33) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(33) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 34 ÿÿÿÿÿÿÿÿÿ cryst. s(34) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(34) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 35 ÿÿÿÿÿÿÿÿÿ cryst. s(35) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(35) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 36 ÿÿÿÿÿÿÿÿÿ cryst. s(36) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(36) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 37 ÿÿÿÿÿÿÿÿÿ cryst. s(37) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(37) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 38 ÿÿÿÿÿÿÿÿÿ cryst. s(38) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(38) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 39 ÿÿÿÿÿÿÿÿÿ cryst. s(39) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(39) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 40 ÿÿÿÿÿÿÿÿÿ cryst. s(40) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(40) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 41 ÿÿÿÿÿÿÿÿÿ cryst. s(41) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(41) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 42 ÿÿÿÿÿÿÿÿÿ cryst. s(42) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(42) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 43 ÿÿÿÿÿÿÿÿÿ cryst. s(43) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(43) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 44 ÿÿÿÿÿÿÿÿÿ cryst. s(44) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(44) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 45 ÿÿÿÿÿÿÿÿÿ cryst. s(45) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(45) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 46 ÿÿÿÿÿÿÿÿÿ cryst. s(46) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(46) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 47 ÿÿÿÿÿÿÿÿÿ cryst. s(47) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(47) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) isym = 48 ÿÿÿÿÿÿÿÿÿ cryst. s(48) = ( 0 0 0 ) f =( ********** ) ( 0 0 0 ) ( 0.0000000 ) ( 0 0 0 ) ( ********** ) cart. s(48) = ( 0.0000000*********** 0.0000000 ) f =( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) ( 0.0000000 0.0000000 0.0000000 ) ( ********** ) This transformation sends q -> -q+G isym = 49 identity cryst. s(49) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(49) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) G cutoff = 268.2305 ( 4645 G-vectors) FFT grid: ( 24, 24, 24) number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741 k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741 k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741 k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741 k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741 k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741 k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741 k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741 k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741 k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741 k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741 k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741 k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741 k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741 k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741 k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741 k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741 k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741 k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741 k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0740741 k( 3) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741 k( 4) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0740741 k( 5) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0740741 k( 6) = ( 0.0000000 0.3333333 0.6666667), wk = 0.0740741 k( 7) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741 k( 8) = ( 0.0000000 0.6666667 0.3333333), wk = 0.0740741 k( 9) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741 k( 10) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0740741 k( 11) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0740741 k( 12) = ( 0.3333333 0.0000000 0.6666667), wk = 0.0740741 k( 13) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0740741 k( 14) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 15) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0740741 k( 16) = ( 0.3333333 0.6666667 0.0000000), wk = 0.0740741 k( 17) = ( 0.3333333 0.6666667 0.3333333), wk = 0.0740741 k( 18) = ( 0.3333333 0.6666667 0.6666667), wk = 0.0740741 k( 19) = ( 0.6666667 0.0000000 0.0000000), wk = 0.0740741 k( 20) = ( 0.6666667 0.0000000 0.3333333), wk = 0.0740741 k( 21) = ( 0.6666667 0.0000000 0.6666667), wk = 0.0740741 k( 22) = ( 0.6666667 0.3333333 0.0000000), wk = 0.0740741 k( 23) = ( 0.6666667 0.3333333 0.3333333), wk = 0.0740741 k( 24) = ( 0.6666667 0.3333333 0.6666667), wk = 0.0740741 k( 25) = ( 0.6666667 0.6666667 0.0000000), wk = 0.0740741 k( 26) = ( 0.6666667 0.6666667 0.3333333), wk = 0.0740741 k( 27) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741 PseudoPot. # 1 for C read from file: ../../pp/C_3.98148.UPF MD5 check sum: 8b65adcd36341f53911399f4b6efa59f Pseudo is Norm-conserving, Zval = 4.0 Generated by new atomic code, or converted to UPF format Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 EPW : 0.35s CPU 0.36s WALL EPW : 0.45s CPU 0.46s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 3 x 3 x 3 electronic grid ------------------------------------------------------------------- Spin CASE ( default = unpolarized ) Initializing Wannier90 Initial Wannier projections ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3 ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 - Number of bands is ( 4) - Number of wannier functions is ( 4) - All guiding functions are given - All neighbours are found AMN k points = 27 in 4 pools 1 of 7 on ionode 2 of 7 on ionode 3 of 7 on ionode 4 of 7 on ionode 5 of 7 on ionode 6 of 7 on ionode 7 of 7 on ionode AMN calculated MMN k points = 27 in 4 pools 1 of 7 on ionode 2 of 7 on ionode 3 of 7 on ionode 4 of 7 on ionode 5 of 7 on ionode 6 of 7 on ionode 7 of 7 on ionode MMN calculated Running Wannier90 Wannier Function centers (cartesian, alat) and spreads (ang): ( 0.12500 0.12500 0.12500) : 0.57702 ( 0.12500 -0.12500 -0.12500) : 0.57702 ( -0.12500 0.12500 -0.12500) : 0.57702 ( -0.12500 -0.12500 0.12500) : 0.57702 ------------------------------------------------------------------- WANNIER : 2.35s CPU 2.36s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 2.52s CPU 2.53s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 =================================================================== irreducible q point # 1 =================================================================== Symmetries of small group of q: 48 in addition sym. q -> -q+G: Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix Frequencies of the matrix for the current q in the star -0.00000 -0.00000 -0.00000 931.99573 931.99573 931.99573 q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 120 deg rotation - cart. axis [-1,1,-1] cryst. s(11) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 120 deg rotation - cart. axis [1,-1,1] cryst. s(22) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(26) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 1 1 1 1 2 2 1 3 3 1 4 4 1 5 5 1 6 6 1 7 7 1 8 8 1 9 9 1 10 10 1 11 11 1 12 12 1 13 13 1 14 14 1 15 15 1 16 16 1 17 17 1 18 18 1 19 19 1 20 20 1 21 21 1 22 22 1 23 23 1 24 24 1 25 25 1 26 26 1 27 27 1 28 28 1 29 29 1 30 30 1 31 31 1 32 32 1 33 33 1 34 34 1 35 35 1 36 36 1 37 37 1 38 38 1 39 39 1 40 40 1 41 41 1 42 42 1 43 43 1 44 44 1 45 45 1 46 46 1 47 47 1 48 48 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star -0.00000 -0.00000 -0.00000 931.99573 931.99573 931.99573 -0.00000 -0.00000 -0.00000 115.54883 115.54883 115.54883 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star -0.00000 -0.00000 -0.00000 931.99573 931.99573 931.99573 =================================================================== irreducible q point # 2 =================================================================== Symmetries of small group of q: 6 Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 2 0.333333333 0.333333333 -0.333333333 3 0.333333333 0.333333333 0.333333333 4 -0.333333333 0.333333333 0.333333333 5 0.333333333 -0.333333333 0.333333333 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 1 1 1 1 2 2 1 3 3 1 4 4 1 5 5 1 6 6 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 2 1 7 2 2 14 2 3 27 2 4 28 2 5 42 2 6 45 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 3 1 8 3 2 19 3 3 22 3 4 23 3 5 32 3 6 39 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 5 ) = ( -0.3333333 0.3333333 0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 4 1 9 4 2 16 4 3 26 4 4 37 4 5 41 4 6 48 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 5 1 10 5 2 13 5 3 25 5 4 34 5 5 44 5 6 46 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 6 1 11 6 2 12 6 3 15 6 4 33 6 5 43 6 6 47 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 7 1 17 7 2 20 7 3 24 7 4 30 7 5 35 7 6 40 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 120 deg rotation - cart. axis [-1,1,-1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 120 deg rotation - cart. axis [1,-1,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 9 90 deg rotation - cart. axis [0,1,0] cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 180 deg rotation - cart. axis [0,1,0] cryst. s(22) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s(22) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 27 90 deg rotation - cart. axis [0,-1,0] cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 8 1 18 8 2 21 8 3 29 8 4 31 8 5 36 8 6 38 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 61.59730 61.59730 109.65487 139.04324 139.04324 155.06728 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 496.83259 496.83259 884.45610 1121.49738 1121.49738 1250.74432 =================================================================== irreducible q point # 3 =================================================================== Symmetries of small group of q: 8 Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 2 -0.666666667 0.000000000 0.000000000 3 0.000000000 -0.666666667 0.000000000 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 1 1 1 1 2 2 1 3 3 1 4 4 1 5 5 1 6 6 1 7 7 1 8 8 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 83.55211 83.55211 118.21082 143.69651 143.69651 163.26493 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 2 1 9 2 2 18 2 3 27 2 4 31 2 5 33 2 6 37 2 7 41 2 8 43 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 83.55211 83.55211 118.21082 143.69651 143.69651 163.26493 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 3 1 10 3 2 11 3 3 12 3 4 20 3 5 25 3 6 29 3 7 35 3 8 36 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 83.55211 83.55211 118.21082 143.69651 143.69651 163.26493 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 q( 13 ) = ( 0.0000000 0.0000000 0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 4 1 13 4 2 16 4 3 21 4 4 23 4 5 38 4 6 39 4 7 46 4 8 48 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 83.55211 83.55211 118.21082 143.69651 143.69651 163.26493 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 5 1 14 5 2 15 5 3 22 5 4 24 5 5 26 5 6 40 5 7 45 5 8 47 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 83.55211 83.55211 118.21082 143.69651 143.69651 163.26493 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 q( 15 ) = ( 0.6666667 0.0000000 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 180 deg rotation - cart. axis [1,0,1] cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 6 1 17 6 2 19 6 3 28 6 4 30 6 5 32 6 6 34 6 7 42 6 8 44 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 83.55211 83.55211 118.21082 143.69651 143.69651 163.26493 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 673.91602 673.91603 953.46688 1159.02976 1159.02976 1316.86506 =================================================================== irreducible q point # 4 =================================================================== Symmetries of small group of q: 4 Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 2 0.666666667 0.000000000 -0.666666667 3 -0.666666667 0.000000000 -0.666666667 4 -0.666666667 0.000000000 0.666666667 5 0.000000000 -0.666666667 0.666666667 6 -0.666666667 0.666666667 0.000000000 7 -0.666666667 -0.666666667 0.000000000 8 0.666666667 0.666666667 0.000000000 9 0.666666667 -0.666666667 0.000000000 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 1 1 1 1 2 2 1 3 3 1 4 4 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 2 1 5 2 2 7 2 3 29 2 4 36 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 3 1 6 3 2 10 3 3 12 3 4 25 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 19 ) = ( -0.6666667 0.0000000 0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 4 1 8 4 2 11 4 3 20 4 4 35 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 5 1 9 5 2 27 5 3 28 5 4 42 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 21 ) = ( -0.6666667 0.6666667 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 6 1 13 6 2 24 6 3 40 6 4 46 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 7 1 14 7 2 23 7 3 39 7 4 45 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 23 ) = ( 0.6666667 0.6666667 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 8 1 15 8 2 21 8 3 38 8 4 47 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 9 1 16 9 2 22 9 3 26 9 4 48 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 25 ) = ( 0.0000000 0.6666667 0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 10 1 17 10 2 30 10 3 33 10 4 43 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 11 1 18 11 2 31 11 3 34 11 4 44 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s( 2) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 3 180 deg rotation - cart. axis [1,0,1] cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 5 90 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [0,1,0] cryst. s( 6) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,-1,0] cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 9 120 deg rotation - cart. axis [1,-1,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 11 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(12) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 180 deg rotation - cart. axis [0,0,1] cryst. s(20) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s(20) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(22) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 26 120 deg rotation - cart. axis [-1,1,-1] cryst. s(26) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(26) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(27) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 90 deg rotation - cart. axis [0,0,-1] cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 29 180 deg rotation - cart. axis [1,0,0] cryst. s(29) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s(29) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 90 deg rotation - cart. axis [0,0,1] cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 34 180 deg rotation - cart. axis [1,1,0] cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 180 deg rotation - cart. axis [1,-1,0] cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 ) ( 1 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 1 0 ) ( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 1 ) ( 0.2500000 ) ( -1 0 1 ) ( 0.2500000 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 1 0 -1 ) ( 0.2500000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 ) ( 0 1 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 ) iq, i, isym, nog, symmo 12 1 19 12 2 32 12 3 37 12 4 41 Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 90.71296 122.53452 122.98754 134.84284 139.27498 154.84718 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star 731.67412 988.34101 991.99499 1087.61768 1123.36648 1248.96903 Writing epmatq on .epb files The .epb files have been correctly written Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file Finished reading Wann rep data from file Using uniform q-mesh: 6 6 6 Size of q point mesh for interpolation: 216 Using uniform k-mesh: 6 6 6 Size of k point mesh for interpolation: 432 Max number of k points per pool: 108 Fermi energy coarse grid = 14.009584 eV Fermi energy is calculated from the fine k-mesh: Ef = 13.576273 eV Warning: check if difference with Fermi level fine grid makes sense =================================================================== ibndmin = 1 ebndmin = -0.074 ibndmax = 4 ebndmax = 1.021 Number of ep-matrix elements per pool : 5184 ~= 40.50 Kb (@ 8 bytes/ DP) =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 15.000000 eV Golden Rule strictly enforced with T = 0.025852 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.055485 states/spin/eV/Unit Cell at Ef= 13.576273 eV WARNING: only the eigenstates within the Fermi window are meaningful ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -21.5330 eV Re[Sigma]= -64.674126 meV Im[Sigma]= 6.812274 meV Z= 0.993360 lam= 0.006685 E( 2 )= 0.3145 eV Re[Sigma]= 143.592036 meV Im[Sigma]= 41.250943 meV Z= 0.982697 lam= 0.017607 E( 3 )= 0.3145 eV Re[Sigma]= 143.714404 meV Im[Sigma]= 41.444818 meV Z= 0.982715 lam= 0.017589 E( 4 )= 0.3145 eV Re[Sigma]= 144.937755 meV Im[Sigma]= 43.381347 meV Z= 0.982885 lam= 0.017413 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.524195 meV Im[Sigma]= 15.299757 meV Z= 0.997612 lam= 0.002394 E( 2 )= -2.5926 eV Re[Sigma]= 91.318052 meV Im[Sigma]= 184.017330 meV Z= 1.046154 lam= -0.044118 E( 3 )= -0.4527 eV Re[Sigma]= 133.524876 meV Im[Sigma]= 76.644275 meV Z= 1.002041 lam= -0.002037 E( 4 )= -0.4527 eV Re[Sigma]= 133.691381 meV Im[Sigma]= 77.068220 meV Z= 1.002173 lam= -0.002168 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.338888 meV Im[Sigma]= 40.534708 meV Z= 1.002330 lam= -0.002325 E( 2 )= -9.2191 eV Re[Sigma]= -13.643386 meV Im[Sigma]= 49.628208 meV Z= 0.997292 lam= 0.002716 E( 3 )= -2.0907 eV Re[Sigma]= 96.406545 meV Im[Sigma]= 145.565135 meV Z= 1.021943 lam= -0.021472 E( 4 )= -2.0907 eV Re[Sigma]= 96.844182 meV Im[Sigma]= 146.393281 meV Z= 1.021927 lam= -0.021457 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.6077 eV Re[Sigma]= -40.965331 meV Im[Sigma]= 59.575824 meV Z= 1.004765 lam= -0.004742 E( 2 )= -14.0678 eV Re[Sigma]= -10.055427 meV Im[Sigma]= 62.459052 meV Z= 1.003647 lam= -0.003634 E( 3 )= -2.9614 eV Re[Sigma]= 54.166321 meV Im[Sigma]= 173.101141 meV Z= 1.045812 lam= -0.043805 E( 4 )= -2.9614 eV Re[Sigma]= 54.132396 meV Im[Sigma]= 172.938928 meV Z= 1.045776 lam= -0.043772 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.338777 meV Im[Sigma]= 40.534701 meV Z= 1.002330 lam= -0.002325 E( 2 )= -9.2191 eV Re[Sigma]= -13.643483 meV Im[Sigma]= 49.628169 meV Z= 0.997292 lam= 0.002716 E( 3 )= -2.0907 eV Re[Sigma]= 96.579493 meV Im[Sigma]= 145.893223 meV Z= 1.021937 lam= -0.021466 E( 4 )= -2.0907 eV Re[Sigma]= 96.671133 meV Im[Sigma]= 146.065748 meV Z= 1.021934 lam= -0.021463 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.524164 meV Im[Sigma]= 15.299829 meV Z= 0.997612 lam= 0.002394 E( 2 )= -2.5926 eV Re[Sigma]= 91.317859 meV Im[Sigma]= 184.017697 meV Z= 1.046154 lam= -0.044118 E( 3 )= -0.4527 eV Re[Sigma]= 133.666721 meV Im[Sigma]= 77.005544 meV Z= 1.002153 lam= -0.002149 E( 4 )= -0.4527 eV Re[Sigma]= 133.549493 meV Im[Sigma]= 76.706903 meV Z= 1.002060 lam= -0.002056 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.486117 meV Im[Sigma]= 15.407739 meV Z= 0.997690 lam= 0.002315 E( 2 )= -2.5926 eV Re[Sigma]= 90.771119 meV Im[Sigma]= 187.317454 meV Z= 1.047555 lam= -0.045396 E( 3 )= -0.4527 eV Re[Sigma]= 131.286909 meV Im[Sigma]= 74.633297 meV Z= 1.001742 lam= -0.001739 E( 4 )= -0.4527 eV Re[Sigma]= 131.286891 meV Im[Sigma]= 74.633307 meV Z= 1.001742 lam= -0.001739 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -20.5714 eV Re[Sigma]= -65.355143 meV Im[Sigma]= 17.272777 meV Z= 0.996894 lam= 0.003115 E( 2 )= -1.7294 eV Re[Sigma]= 116.919708 meV Im[Sigma]= 132.883035 meV Z= 1.010075 lam= -0.009975 E( 3 )= -1.5590 eV Re[Sigma]= 114.907261 meV Im[Sigma]= 114.836704 meV Z= 1.005711 lam= -0.005679 E( 4 )= -1.5590 eV Re[Sigma]= 113.587763 meV Im[Sigma]= 111.785771 meV Z= 1.005496 lam= -0.005466 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.006484 meV Im[Sigma]= 43.009905 meV Z= 1.007519 lam= -0.007463 E( 2 )= -6.9063 eV Re[Sigma]= -10.493309 meV Im[Sigma]= 103.625997 meV Z= 1.018621 lam= -0.018280 E( 3 )= -3.2910 eV Re[Sigma]= 46.957751 meV Im[Sigma]= 163.847963 meV Z= 1.034365 lam= -0.033223 E( 4 )= -2.6027 eV Re[Sigma]= 80.525531 meV Im[Sigma]= 170.826633 meV Z= 1.043891 lam= -0.042046 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.223644 meV Im[Sigma]= 63.287801 meV Z= 1.004602 lam= -0.004581 E( 2 )= -12.4383 eV Re[Sigma]= -11.337019 meV Im[Sigma]= 65.621866 meV Z= 1.008719 lam= -0.008644 E( 3 )= -4.5379 eV Re[Sigma]= 12.104251 meV Im[Sigma]= 135.509989 meV Z= 1.018357 lam= -0.018026 E( 4 )= -3.8929 eV Re[Sigma]= 24.247356 meV Im[Sigma]= 140.529679 meV Z= 1.024754 lam= -0.024156 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.566186 meV Im[Sigma]= 68.249651 meV Z= 1.015118 lam= -0.014893 E( 2 )= -10.7517 eV Re[Sigma]= -7.255742 meV Im[Sigma]= 57.761724 meV Z= 1.005393 lam= -0.005364 E( 3 )= -5.2472 eV Re[Sigma]= 0.487571 meV Im[Sigma]= 121.322665 meV Z= 1.022860 lam= -0.022349 E( 4 )= -2.6593 eV Re[Sigma]= 70.741755 meV Im[Sigma]= 161.650773 meV Z= 1.042873 lam= -0.041110 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.085295 meV Im[Sigma]= 34.877610 meV Z= 1.000936 lam= -0.000935 E( 2 )= -5.3692 eV Re[Sigma]= -2.541578 meV Im[Sigma]= 135.934838 meV Z= 1.027848 lam= -0.027094 E( 3 )= -3.4193 eV Re[Sigma]= 47.612434 meV Im[Sigma]= 170.385197 meV Z= 1.033358 lam= -0.032281 E( 4 )= -0.9512 eV Re[Sigma]= 114.503832 meV Im[Sigma]= 85.835674 meV Z= 1.005285 lam= -0.005257 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.580752 meV Im[Sigma]= 40.554181 meV Z= 1.002291 lam= -0.002286 E( 2 )= -9.2191 eV Re[Sigma]= -14.127557 meV Im[Sigma]= 49.378246 meV Z= 0.997140 lam= 0.002869 E( 3 )= -2.0907 eV Re[Sigma]= 95.273484 meV Im[Sigma]= 142.850743 meV Z= 1.021383 lam= -0.020935 E( 4 )= -2.0907 eV Re[Sigma]= 95.273470 meV Im[Sigma]= 142.850724 meV Z= 1.021383 lam= -0.020935 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.104691 meV Im[Sigma]= 43.284406 meV Z= 1.007632 lam= -0.007574 E( 2 )= -6.9063 eV Re[Sigma]= -11.693047 meV Im[Sigma]= 102.514110 meV Z= 1.017928 lam= -0.017613 E( 3 )= -3.2910 eV Re[Sigma]= 46.489059 meV Im[Sigma]= 163.654493 meV Z= 1.034583 lam= -0.033427 E( 4 )= -2.6027 eV Re[Sigma]= 80.230135 meV Im[Sigma]= 166.721545 meV Z= 1.042259 lam= -0.040545 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -17.3646 eV Re[Sigma]= -58.930057 meV Im[Sigma]= 42.127929 meV Z= 0.994716 lam= 0.005313 E( 2 )= -6.7590 eV Re[Sigma]= -15.655805 meV Im[Sigma]= 108.549205 meV Z= 1.011615 lam= -0.011482 E( 3 )= -5.2110 eV Re[Sigma]= 2.941456 meV Im[Sigma]= 106.675136 meV Z= 1.019078 lam= -0.018721 E( 4 )= -5.2110 eV Re[Sigma]= 2.779697 meV Im[Sigma]= 106.034255 meV Z= 1.019149 lam= -0.018789 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.507848 meV Im[Sigma]= 56.054107 meV Z= 1.000150 lam= -0.000150 E( 2 )= -10.2664 eV Re[Sigma]= -12.769432 meV Im[Sigma]= 57.168837 meV Z= 1.000424 lam= -0.000423 E( 3 )= -7.2955 eV Re[Sigma]= -11.406804 meV Im[Sigma]= 84.739286 meV Z= 1.018886 lam= -0.018536 E( 4 )= -5.9070 eV Re[Sigma]= -5.762719 meV Im[Sigma]= 78.311050 meV Z= 1.002730 lam= -0.002723 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.525894 meV Im[Sigma]= 60.329884 meV Z= 1.003539 lam= -0.003527 E( 2 )= -10.6632 eV Re[Sigma]= -14.928626 meV Im[Sigma]= 64.848914 meV Z= 1.006733 lam= -0.006688 E( 3 )= -9.4579 eV Re[Sigma]= 2.042510 meV Im[Sigma]= 40.767752 meV Z= 0.996245 lam= 0.003769 E( 4 )= -4.5555 eV Re[Sigma]= 11.676038 meV Im[Sigma]= 121.278067 meV Z= 1.015918 lam= -0.015669 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.637031 meV Im[Sigma]= 68.665204 meV Z= 1.015239 lam= -0.015010 E( 2 )= -10.7517 eV Re[Sigma]= -7.174246 meV Im[Sigma]= 57.647416 meV Z= 1.005261 lam= -0.005233 E( 3 )= -5.2472 eV Re[Sigma]= 1.807888 meV Im[Sigma]= 119.642176 meV Z= 1.022489 lam= -0.021995 E( 4 )= -2.6593 eV Re[Sigma]= 70.841372 meV Im[Sigma]= 161.384930 meV Z= 1.042851 lam= -0.041091 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.6077 eV Re[Sigma]= -40.454112 meV Im[Sigma]= 58.938410 meV Z= 1.004205 lam= -0.004188 E( 2 )= -14.0678 eV Re[Sigma]= -10.779775 meV Im[Sigma]= 63.223540 meV Z= 1.004142 lam= -0.004124 E( 3 )= -2.9614 eV Re[Sigma]= 53.176881 meV Im[Sigma]= 169.696705 meV Z= 1.045157 lam= -0.043206 E( 4 )= -2.9614 eV Re[Sigma]= 53.177003 meV Im[Sigma]= 169.696780 meV Z= 1.045157 lam= -0.043206 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -39.866201 meV Im[Sigma]= 63.145530 meV Z= 1.004350 lam= -0.004331 E( 2 )= -12.4383 eV Re[Sigma]= -11.545505 meV Im[Sigma]= 65.717915 meV Z= 1.008844 lam= -0.008767 E( 3 )= -4.5379 eV Re[Sigma]= 13.060915 meV Im[Sigma]= 133.534226 meV Z= 1.018110 lam= -0.017788 E( 4 )= -3.8929 eV Re[Sigma]= 24.408983 meV Im[Sigma]= 139.505566 meV Z= 1.024600 lam= -0.024010 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.221148 meV Im[Sigma]= 56.068195 meV Z= 1.000168 lam= -0.000168 E( 2 )= -10.2664 eV Re[Sigma]= -12.333174 meV Im[Sigma]= 57.068780 meV Z= 1.000464 lam= -0.000464 E( 3 )= -7.2955 eV Re[Sigma]= -11.005364 meV Im[Sigma]= 83.965896 meV Z= 1.018399 lam= -0.018067 E( 4 )= -5.9070 eV Re[Sigma]= -4.795950 meV Im[Sigma]= 78.113587 meV Z= 1.002530 lam= -0.002523 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.8708 eV Re[Sigma]= -28.997566 meV Im[Sigma]= 63.142369 meV Z= 1.000478 lam= -0.000478 E( 2 )= -11.9934 eV Re[Sigma]= -20.805203 meV Im[Sigma]= 78.315722 meV Z= 1.012450 lam= -0.012296 E( 3 )= -6.9896 eV Re[Sigma]= -4.304669 meV Im[Sigma]= 70.805073 meV Z= 1.014982 lam= -0.014761 E( 4 )= -6.9896 eV Re[Sigma]= -4.068637 meV Im[Sigma]= 69.204142 meV Z= 1.014365 lam= -0.014162 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.220957 meV Im[Sigma]= 56.068334 meV Z= 1.000168 lam= -0.000168 E( 2 )= -10.2664 eV Re[Sigma]= -12.333037 meV Im[Sigma]= 57.068773 meV Z= 1.000464 lam= -0.000464 E( 3 )= -7.2955 eV Re[Sigma]= -11.005635 meV Im[Sigma]= 83.965914 meV Z= 1.018399 lam= -0.018067 E( 4 )= -5.9070 eV Re[Sigma]= -4.796175 meV Im[Sigma]= 78.114070 meV Z= 1.002530 lam= -0.002523 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -39.866090 meV Im[Sigma]= 63.145293 meV Z= 1.004350 lam= -0.004331 E( 2 )= -12.4383 eV Re[Sigma]= -11.545557 meV Im[Sigma]= 65.718183 meV Z= 1.008844 lam= -0.008767 E( 3 )= -4.5379 eV Re[Sigma]= 13.060464 meV Im[Sigma]= 133.534341 meV Z= 1.018110 lam= -0.017788 E( 4 )= -3.8929 eV Re[Sigma]= 24.409427 meV Im[Sigma]= 139.505885 meV Z= 1.024600 lam= -0.024010 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.580718 meV Im[Sigma]= 40.554492 meV Z= 1.002291 lam= -0.002286 E( 2 )= -9.2191 eV Re[Sigma]= -14.127743 meV Im[Sigma]= 49.378260 meV Z= 0.997140 lam= 0.002869 E( 3 )= -2.0907 eV Re[Sigma]= 95.273964 meV Im[Sigma]= 142.852304 meV Z= 1.021383 lam= -0.020935 E( 4 )= -2.0907 eV Re[Sigma]= 95.273374 meV Im[Sigma]= 142.851022 meV Z= 1.021383 lam= -0.020935 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.636846 meV Im[Sigma]= 68.665032 meV Z= 1.015239 lam= -0.015010 E( 2 )= -10.7517 eV Re[Sigma]= -7.174314 meV Im[Sigma]= 57.647397 meV Z= 1.005261 lam= -0.005233 E( 3 )= -5.2472 eV Re[Sigma]= 1.808083 meV Im[Sigma]= 119.641980 meV Z= 1.022489 lam= -0.021995 E( 4 )= -2.6593 eV Re[Sigma]= 70.841577 meV Im[Sigma]= 161.386030 meV Z= 1.042852 lam= -0.041091 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.525976 meV Im[Sigma]= 60.329813 meV Z= 1.003539 lam= -0.003527 E( 2 )= -10.6632 eV Re[Sigma]= -14.928742 meV Im[Sigma]= 64.848983 meV Z= 1.006733 lam= -0.006688 E( 3 )= -9.4579 eV Re[Sigma]= 2.042606 meV Im[Sigma]= 40.767730 meV Z= 0.996245 lam= 0.003769 E( 4 )= -4.5555 eV Re[Sigma]= 11.675992 meV Im[Sigma]= 121.278374 meV Z= 1.015919 lam= -0.015669 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.507622 meV Im[Sigma]= 56.054164 meV Z= 1.000150 lam= -0.000150 E( 2 )= -10.2664 eV Re[Sigma]= -12.769473 meV Im[Sigma]= 57.168940 meV Z= 1.000424 lam= -0.000424 E( 3 )= -7.2955 eV Re[Sigma]= -11.406949 meV Im[Sigma]= 84.739213 meV Z= 1.018886 lam= -0.018535 E( 4 )= -5.9070 eV Re[Sigma]= -5.763040 meV Im[Sigma]= 78.311319 meV Z= 1.002730 lam= -0.002723 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -17.3646 eV Re[Sigma]= -58.929932 meV Im[Sigma]= 42.128458 meV Z= 0.994716 lam= 0.005313 E( 2 )= -6.7590 eV Re[Sigma]= -15.655463 meV Im[Sigma]= 108.549077 meV Z= 1.011615 lam= -0.011482 E( 3 )= -5.2110 eV Re[Sigma]= 2.891264 meV Im[Sigma]= 106.483294 meV Z= 1.019100 lam= -0.018742 E( 4 )= -5.2110 eV Re[Sigma]= 2.828462 meV Im[Sigma]= 106.227584 meV Z= 1.019127 lam= -0.018768 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.104806 meV Im[Sigma]= 43.284767 meV Z= 1.007632 lam= -0.007574 E( 2 )= -6.9063 eV Re[Sigma]= -11.693269 meV Im[Sigma]= 102.514407 meV Z= 1.017929 lam= -0.017613 E( 3 )= -3.2910 eV Re[Sigma]= 46.489007 meV Im[Sigma]= 163.656367 meV Z= 1.034584 lam= -0.033428 E( 4 )= -2.6027 eV Re[Sigma]= 80.229875 meV Im[Sigma]= 166.722084 meV Z= 1.042259 lam= -0.040546 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.486292 meV Im[Sigma]= 15.407695 meV Z= 0.997690 lam= 0.002315 E( 2 )= -2.5926 eV Re[Sigma]= 90.771059 meV Im[Sigma]= 187.317183 meV Z= 1.047554 lam= -0.045396 E( 3 )= -0.4527 eV Re[Sigma]= 131.287196 meV Im[Sigma]= 74.633794 meV Z= 1.001742 lam= -0.001739 E( 4 )= -0.4527 eV Re[Sigma]= 131.286920 meV Im[Sigma]= 74.633432 meV Z= 1.001742 lam= -0.001739 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.085548 meV Im[Sigma]= 34.877680 meV Z= 1.000936 lam= -0.000935 E( 2 )= -5.3692 eV Re[Sigma]= -2.541329 meV Im[Sigma]= 135.934823 meV Z= 1.027848 lam= -0.027094 E( 3 )= -3.4193 eV Re[Sigma]= 47.612290 meV Im[Sigma]= 170.384905 meV Z= 1.033358 lam= -0.032281 E( 4 )= -0.9512 eV Re[Sigma]= 114.504048 meV Im[Sigma]= 85.836059 meV Z= 1.005285 lam= -0.005257 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.566290 meV Im[Sigma]= 68.249955 meV Z= 1.015118 lam= -0.014893 E( 2 )= -10.7517 eV Re[Sigma]= -7.255613 meV Im[Sigma]= 57.761623 meV Z= 1.005393 lam= -0.005364 E( 3 )= -5.2472 eV Re[Sigma]= 0.487477 meV Im[Sigma]= 121.322790 meV Z= 1.022860 lam= -0.022349 E( 4 )= -2.6593 eV Re[Sigma]= 70.741948 meV Im[Sigma]= 161.650363 meV Z= 1.042872 lam= -0.041110 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.223565 meV Im[Sigma]= 63.287581 meV Z= 1.004602 lam= -0.004581 E( 2 )= -12.4383 eV Re[Sigma]= -11.336928 meV Im[Sigma]= 65.621771 meV Z= 1.008719 lam= -0.008644 E( 3 )= -4.5379 eV Re[Sigma]= 12.104120 meV Im[Sigma]= 135.510250 meV Z= 1.018357 lam= -0.018026 E( 4 )= -3.8929 eV Re[Sigma]= 24.247761 meV Im[Sigma]= 140.529708 meV Z= 1.024754 lam= -0.024156 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.006453 meV Im[Sigma]= 43.010249 meV Z= 1.007519 lam= -0.007463 E( 2 )= -6.9063 eV Re[Sigma]= -10.493506 meV Im[Sigma]= 103.625657 meV Z= 1.018621 lam= -0.018280 E( 3 )= -3.2910 eV Re[Sigma]= 46.957751 meV Im[Sigma]= 163.849399 meV Z= 1.034365 lam= -0.033224 E( 4 )= -2.6027 eV Re[Sigma]= 80.525606 meV Im[Sigma]= 170.826723 meV Z= 1.043891 lam= -0.042046 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -20.5714 eV Re[Sigma]= -65.355286 meV Im[Sigma]= 17.272728 meV Z= 0.996894 lam= 0.003115 E( 2 )= -1.7294 eV Re[Sigma]= 116.919636 meV Im[Sigma]= 132.882931 meV Z= 1.010075 lam= -0.009975 E( 3 )= -1.5590 eV Re[Sigma]= 113.683077 meV Im[Sigma]= 112.005308 meV Z= 1.005512 lam= -0.005481 E( 4 )= -1.5590 eV Re[Sigma]= 114.812622 meV Im[Sigma]= 114.617760 meV Z= 1.005696 lam= -0.005664 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.524201 meV Im[Sigma]= 15.299777 meV Z= 0.997612 lam= 0.002394 E( 2 )= -2.5926 eV Re[Sigma]= 91.317999 meV Im[Sigma]= 184.017309 meV Z= 1.046154 lam= -0.044118 E( 3 )= -0.4527 eV Re[Sigma]= 133.583454 meV Im[Sigma]= 76.793428 meV Z= 1.002087 lam= -0.002083 E( 4 )= -0.4527 eV Re[Sigma]= 133.632730 meV Im[Sigma]= 76.919063 meV Z= 1.002126 lam= -0.002122 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -20.5714 eV Re[Sigma]= -65.355271 meV Im[Sigma]= 17.272727 meV Z= 0.996894 lam= 0.003115 E( 2 )= -1.7294 eV Re[Sigma]= 116.919634 meV Im[Sigma]= 132.883174 meV Z= 1.010075 lam= -0.009975 E( 3 )= -1.5590 eV Re[Sigma]= 114.207652 meV Im[Sigma]= 113.219081 meV Z= 1.005597 lam= -0.005566 E( 4 )= -1.5590 eV Re[Sigma]= 114.287218 meV Im[Sigma]= 113.403277 meV Z= 1.005610 lam= -0.005579 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015234 meV Im[Sigma]= 43.224682 meV Z= 1.007620 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958556 meV Im[Sigma]= 102.190235 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273219 meV Im[Sigma]= 167.534129 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474440 meV Im[Sigma]= 167.236953 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206530 meV Im[Sigma]= 62.541378 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484337 meV Im[Sigma]= 65.235828 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755822 meV Im[Sigma]= 134.100366 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529986 meV Im[Sigma]= 142.418008 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623252 meV Im[Sigma]= 68.211800 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103418 meV Im[Sigma]= 57.853794 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340679 meV Im[Sigma]= 120.238678 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266107 meV Im[Sigma]= 163.897965 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.035973 meV Im[Sigma]= 34.913338 meV Z= 1.000969 lam= -0.000969 E( 2 )= -5.3692 eV Re[Sigma]= -1.131826 meV Im[Sigma]= 135.238394 meV Z= 1.027487 lam= -0.026751 E( 3 )= -3.4193 eV Re[Sigma]= 47.454700 meV Im[Sigma]= 173.781654 meV Z= 1.035224 lam= -0.034026 E( 4 )= -0.9512 eV Re[Sigma]= 116.889778 meV Im[Sigma]= 86.617736 meV Z= 1.004789 lam= -0.004766 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -20.5714 eV Re[Sigma]= -65.355128 meV Im[Sigma]= 17.272775 meV Z= 0.996894 lam= 0.003115 E( 2 )= -1.7294 eV Re[Sigma]= 116.919674 meV Im[Sigma]= 132.882977 meV Z= 1.010075 lam= -0.009975 E( 3 )= -1.5590 eV Re[Sigma]= 113.893974 meV Im[Sigma]= 112.494014 meV Z= 1.005546 lam= -0.005516 E( 4 )= -1.5590 eV Re[Sigma]= 114.600959 meV Im[Sigma]= 114.128547 meV Z= 1.005661 lam= -0.005630 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.524189 meV Im[Sigma]= 15.299838 meV Z= 0.997612 lam= 0.002394 E( 2 )= -2.5926 eV Re[Sigma]= 91.317915 meV Im[Sigma]= 184.017854 meV Z= 1.046154 lam= -0.044118 E( 3 )= -0.4527 eV Re[Sigma]= 133.656930 meV Im[Sigma]= 76.980842 meV Z= 1.002146 lam= -0.002141 E( 4 )= -0.4527 eV Re[Sigma]= 133.558975 meV Im[Sigma]= 76.731495 meV Z= 1.002068 lam= -0.002064 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.035981 meV Im[Sigma]= 34.913432 meV Z= 1.000969 lam= -0.000969 E( 2 )= -5.3692 eV Re[Sigma]= -1.131789 meV Im[Sigma]= 135.238201 meV Z= 1.027487 lam= -0.026751 E( 3 )= -3.4193 eV Re[Sigma]= 47.454850 meV Im[Sigma]= 173.781513 meV Z= 1.035224 lam= -0.034026 E( 4 )= -0.9512 eV Re[Sigma]= 116.889587 meV Im[Sigma]= 86.617648 meV Z= 1.004789 lam= -0.004766 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623147 meV Im[Sigma]= 68.211940 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103462 meV Im[Sigma]= 57.853895 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340470 meV Im[Sigma]= 120.238447 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266053 meV Im[Sigma]= 163.897593 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206564 meV Im[Sigma]= 62.541158 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484175 meV Im[Sigma]= 65.235965 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755429 meV Im[Sigma]= 134.100464 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.530079 meV Im[Sigma]= 142.417794 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015203 meV Im[Sigma]= 43.224525 meV Z= 1.007620 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958664 meV Im[Sigma]= 102.190174 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273172 meV Im[Sigma]= 167.534409 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474452 meV Im[Sigma]= 167.237298 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.104663 meV Im[Sigma]= 43.284376 meV Z= 1.007632 lam= -0.007574 E( 2 )= -6.9063 eV Re[Sigma]= -11.692987 meV Im[Sigma]= 102.514163 meV Z= 1.017929 lam= -0.017613 E( 3 )= -3.2910 eV Re[Sigma]= 46.489044 meV Im[Sigma]= 163.654476 meV Z= 1.034583 lam= -0.033427 E( 4 )= -2.6027 eV Re[Sigma]= 80.230118 meV Im[Sigma]= 166.721566 meV Z= 1.042259 lam= -0.040545 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.085283 meV Im[Sigma]= 34.877613 meV Z= 1.000936 lam= -0.000935 E( 2 )= -5.3692 eV Re[Sigma]= -2.541464 meV Im[Sigma]= 135.934945 meV Z= 1.027848 lam= -0.027094 E( 3 )= -3.4193 eV Re[Sigma]= 47.612548 meV Im[Sigma]= 170.384432 meV Z= 1.033358 lam= -0.032281 E( 4 )= -0.9512 eV Re[Sigma]= 114.503838 meV Im[Sigma]= 85.835629 meV Z= 1.005285 lam= -0.005257 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015171 meV Im[Sigma]= 43.224542 meV Z= 1.007620 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958651 meV Im[Sigma]= 102.190250 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273063 meV Im[Sigma]= 167.533969 meV Z= 1.035892 lam= -0.034648 E( 4 )= -2.6027 eV Re[Sigma]= 80.474554 meV Im[Sigma]= 167.236828 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837065 meV Im[Sigma]= 72.506636 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613734 meV Im[Sigma]= 50.530828 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879765 meV Im[Sigma]= 87.564957 meV Z= 1.015487 lam= -0.015251 E( 4 )= -3.9563 eV Re[Sigma]= 26.626684 meV Im[Sigma]= 143.148805 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866097 meV Im[Sigma]= 61.530490 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502119 meV Im[Sigma]= 67.454853 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378361 meV Im[Sigma]= 76.058671 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810788 meV Im[Sigma]= 109.184751 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722256 meV Im[Sigma]= 72.551804 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814641 meV Im[Sigma]= 49.834472 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489409 meV Im[Sigma]= 87.639696 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725494 meV Im[Sigma]= 142.116262 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -39.866250 meV Im[Sigma]= 63.145551 meV Z= 1.004350 lam= -0.004331 E( 2 )= -12.4383 eV Re[Sigma]= -11.545397 meV Im[Sigma]= 65.718021 meV Z= 1.008844 lam= -0.008767 E( 3 )= -4.5379 eV Re[Sigma]= 13.060780 meV Im[Sigma]= 133.534237 meV Z= 1.018110 lam= -0.017788 E( 4 )= -3.8929 eV Re[Sigma]= 24.408955 meV Im[Sigma]= 139.505423 meV Z= 1.024600 lam= -0.024010 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.636962 meV Im[Sigma]= 68.665269 meV Z= 1.015239 lam= -0.015010 E( 2 )= -10.7517 eV Re[Sigma]= -7.174325 meV Im[Sigma]= 57.647378 meV Z= 1.005261 lam= -0.005233 E( 3 )= -5.2472 eV Re[Sigma]= 1.807970 meV Im[Sigma]= 119.642205 meV Z= 1.022489 lam= -0.021995 E( 4 )= -2.6593 eV Re[Sigma]= 70.841360 meV Im[Sigma]= 161.384972 meV Z= 1.042851 lam= -0.041091 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722221 meV Im[Sigma]= 72.551717 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814752 meV Im[Sigma]= 49.834402 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489432 meV Im[Sigma]= 87.639615 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725754 meV Im[Sigma]= 142.115828 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306265 meV Im[Sigma]= 56.077116 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714471 meV Im[Sigma]= 56.833838 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546332 meV Im[Sigma]= 82.757794 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.240989 meV Im[Sigma]= 80.027112 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871417 meV Im[Sigma]= 79.956860 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492625 meV Im[Sigma]= 75.576224 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339654 meV Im[Sigma]= 41.487780 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462798 meV Im[Sigma]= 78.069227 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.541639 meV Im[Sigma]= 61.501464 meV Z= 1.001087 lam= -0.001085 E( 2 )= -11.9153 eV Re[Sigma]= -4.455229 meV Im[Sigma]= 66.907127 meV Z= 1.010113 lam= -0.010012 E( 3 )= -7.7465 eV Re[Sigma]= -18.849682 meV Im[Sigma]= 76.190829 meV Z= 1.006297 lam= -0.006257 E( 4 )= -5.2565 eV Re[Sigma]= 3.263938 meV Im[Sigma]= 108.410881 meV Z= 1.020210 lam= -0.019809 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.636925 meV Im[Sigma]= 68.665196 meV Z= 1.015239 lam= -0.015010 E( 2 )= -10.7517 eV Re[Sigma]= -7.174404 meV Im[Sigma]= 57.647382 meV Z= 1.005261 lam= -0.005233 E( 3 )= -5.2472 eV Re[Sigma]= 1.808133 meV Im[Sigma]= 119.642432 meV Z= 1.022489 lam= -0.021995 E( 4 )= -2.6593 eV Re[Sigma]= 70.841374 meV Im[Sigma]= 161.385999 meV Z= 1.042852 lam= -0.041091 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -39.866188 meV Im[Sigma]= 63.145126 meV Z= 1.004350 lam= -0.004331 E( 2 )= -12.4383 eV Re[Sigma]= -11.545424 meV Im[Sigma]= 65.718226 meV Z= 1.008844 lam= -0.008767 E( 3 )= -4.5379 eV Re[Sigma]= 13.060378 meV Im[Sigma]= 133.534550 meV Z= 1.018110 lam= -0.017788 E( 4 )= -3.8929 eV Re[Sigma]= 24.409170 meV Im[Sigma]= 139.505429 meV Z= 1.024600 lam= -0.024010 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.541719 meV Im[Sigma]= 61.501357 meV Z= 1.001087 lam= -0.001085 E( 2 )= -11.9153 eV Re[Sigma]= -4.455260 meV Im[Sigma]= 66.907077 meV Z= 1.010113 lam= -0.010012 E( 3 )= -7.7465 eV Re[Sigma]= -18.849506 meV Im[Sigma]= 76.190660 meV Z= 1.006297 lam= -0.006257 E( 4 )= -5.2565 eV Re[Sigma]= 3.263991 meV Im[Sigma]= 108.410857 meV Z= 1.020210 lam= -0.019809 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871510 meV Im[Sigma]= 79.957184 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492642 meV Im[Sigma]= 75.576194 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339571 meV Im[Sigma]= 41.487337 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462814 meV Im[Sigma]= 78.069844 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306051 meV Im[Sigma]= 56.077136 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714305 meV Im[Sigma]= 56.833839 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546428 meV Im[Sigma]= 82.757509 meV Z= 1.018010 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241152 meV Im[Sigma]= 80.027694 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722115 meV Im[Sigma]= 72.552074 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814674 meV Im[Sigma]= 49.834481 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489756 meV Im[Sigma]= 87.639735 meV Z= 1.015650 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725408 meV Im[Sigma]= 142.115897 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.085525 meV Im[Sigma]= 34.877747 meV Z= 1.000936 lam= -0.000935 E( 2 )= -5.3692 eV Re[Sigma]= -2.541676 meV Im[Sigma]= 135.934985 meV Z= 1.027848 lam= -0.027094 E( 3 )= -3.4193 eV Re[Sigma]= 47.612504 meV Im[Sigma]= 170.384369 meV Z= 1.033358 lam= -0.032281 E( 4 )= -0.9512 eV Re[Sigma]= 114.503896 meV Im[Sigma]= 85.836292 meV Z= 1.005285 lam= -0.005257 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.104824 meV Im[Sigma]= 43.284384 meV Z= 1.007632 lam= -0.007574 E( 2 )= -6.9063 eV Re[Sigma]= -11.693041 meV Im[Sigma]= 102.514274 meV Z= 1.017929 lam= -0.017613 E( 3 )= -3.2910 eV Re[Sigma]= 46.488981 meV Im[Sigma]= 163.654516 meV Z= 1.034583 lam= -0.033427 E( 4 )= -2.6027 eV Re[Sigma]= 80.230023 meV Im[Sigma]= 166.722136 meV Z= 1.042259 lam= -0.040546 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722268 meV Im[Sigma]= 72.551839 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814700 meV Im[Sigma]= 49.834454 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489414 meV Im[Sigma]= 87.639808 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725568 meV Im[Sigma]= 142.115980 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866043 meV Im[Sigma]= 61.530577 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502111 meV Im[Sigma]= 67.454694 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378448 meV Im[Sigma]= 76.058711 meV Z= 1.006225 lam= -0.006186 E( 4 )= -5.2565 eV Re[Sigma]= 2.810902 meV Im[Sigma]= 109.185177 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.836998 meV Im[Sigma]= 72.507014 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613659 meV Im[Sigma]= 50.530777 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879904 meV Im[Sigma]= 87.564671 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626641 meV Im[Sigma]= 143.149652 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015238 meV Im[Sigma]= 43.224981 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958500 meV Im[Sigma]= 102.190112 meV Z= 1.018021 lam= -0.017702 E( 3 )= -3.2910 eV Re[Sigma]= 47.273125 meV Im[Sigma]= 167.534877 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474544 meV Im[Sigma]= 167.237647 meV Z= 1.042447 lam= -0.040718 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.338888 meV Im[Sigma]= 40.534708 meV Z= 1.002330 lam= -0.002325 E( 2 )= -9.2191 eV Re[Sigma]= -13.643388 meV Im[Sigma]= 49.628209 meV Z= 0.997292 lam= 0.002716 E( 3 )= -2.0907 eV Re[Sigma]= 96.908443 meV Im[Sigma]= 146.514883 meV Z= 1.021925 lam= -0.021454 E( 4 )= -2.0907 eV Re[Sigma]= 96.342269 meV Im[Sigma]= 145.443498 meV Z= 1.021946 lam= -0.021475 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015223 meV Im[Sigma]= 43.224706 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958591 meV Im[Sigma]= 102.190299 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273187 meV Im[Sigma]= 167.534003 meV Z= 1.035892 lam= -0.034648 E( 4 )= -2.6027 eV Re[Sigma]= 80.474402 meV Im[Sigma]= 167.237033 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -17.3646 eV Re[Sigma]= -58.930072 meV Im[Sigma]= 42.127995 meV Z= 0.994716 lam= 0.005313 E( 2 )= -6.7590 eV Re[Sigma]= -15.655856 meV Im[Sigma]= 108.549097 meV Z= 1.011615 lam= -0.011482 E( 3 )= -5.2110 eV Re[Sigma]= 2.804661 meV Im[Sigma]= 106.132736 meV Z= 1.019138 lam= -0.018778 E( 4 )= -5.2110 eV Re[Sigma]= 2.916591 meV Im[Sigma]= 106.576487 meV Z= 1.019089 lam= -0.018731 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306222 meV Im[Sigma]= 56.077176 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714381 meV Im[Sigma]= 56.833815 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546325 meV Im[Sigma]= 82.757729 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241050 meV Im[Sigma]= 80.027678 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.581289 meV Im[Sigma]= 60.623456 meV Z= 1.003811 lam= -0.003796 E( 2 )= -10.6632 eV Re[Sigma]= -15.301652 meV Im[Sigma]= 65.095282 meV Z= 1.006752 lam= -0.006706 E( 3 )= -9.4579 eV Re[Sigma]= 2.604665 meV Im[Sigma]= 39.546016 meV Z= 0.995880 lam= 0.004137 E( 4 )= -4.5555 eV Re[Sigma]= 12.356798 meV Im[Sigma]= 124.567343 meV Z= 1.016622 lam= -0.016351 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623307 meV Im[Sigma]= 68.211945 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103442 meV Im[Sigma]= 57.853793 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340465 meV Im[Sigma]= 120.238459 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266134 meV Im[Sigma]= 163.897719 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.006468 meV Im[Sigma]= 43.009863 meV Z= 1.007519 lam= -0.007463 E( 2 )= -6.9063 eV Re[Sigma]= -10.493341 meV Im[Sigma]= 103.626029 meV Z= 1.018621 lam= -0.018280 E( 3 )= -3.2910 eV Re[Sigma]= 46.957778 meV Im[Sigma]= 163.848102 meV Z= 1.034365 lam= -0.033223 E( 4 )= -2.6027 eV Re[Sigma]= 80.525441 meV Im[Sigma]= 170.826595 meV Z= 1.043891 lam= -0.042046 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.035990 meV Im[Sigma]= 34.913437 meV Z= 1.000969 lam= -0.000969 E( 2 )= -5.3692 eV Re[Sigma]= -1.131786 meV Im[Sigma]= 135.238265 meV Z= 1.027487 lam= -0.026751 E( 3 )= -3.4193 eV Re[Sigma]= 47.454834 meV Im[Sigma]= 173.781602 meV Z= 1.035224 lam= -0.034026 E( 4 )= -0.9512 eV Re[Sigma]= 116.889511 meV Im[Sigma]= 86.617678 meV Z= 1.004789 lam= -0.004766 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.006423 meV Im[Sigma]= 43.010122 meV Z= 1.007519 lam= -0.007463 E( 2 )= -6.9063 eV Re[Sigma]= -10.493484 meV Im[Sigma]= 103.625736 meV Z= 1.018621 lam= -0.018280 E( 3 )= -3.2910 eV Re[Sigma]= 46.957602 meV Im[Sigma]= 163.847746 meV Z= 1.034365 lam= -0.033223 E( 4 )= -2.6027 eV Re[Sigma]= 80.525670 meV Im[Sigma]= 170.826473 meV Z= 1.043891 lam= -0.042046 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.836991 meV Im[Sigma]= 72.506743 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613769 meV Im[Sigma]= 50.530714 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879803 meV Im[Sigma]= 87.564946 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626680 meV Im[Sigma]= 143.148886 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.809870 meV Im[Sigma]= 61.805549 meV Z= 1.001409 lam= -0.001407 E( 2 )= -11.9153 eV Re[Sigma]= -4.747741 meV Im[Sigma]= 66.400393 meV Z= 1.009668 lam= -0.009575 E( 3 )= -7.7465 eV Re[Sigma]= -18.527367 meV Im[Sigma]= 76.768631 meV Z= 1.006441 lam= -0.006400 E( 4 )= -5.2565 eV Re[Sigma]= 1.743834 meV Im[Sigma]= 111.085103 meV Z= 1.020937 lam= -0.020507 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837194 meV Im[Sigma]= 72.506713 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613721 meV Im[Sigma]= 50.530802 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879847 meV Im[Sigma]= 87.565062 meV Z= 1.015487 lam= -0.015251 E( 4 )= -3.9563 eV Re[Sigma]= 26.626690 meV Im[Sigma]= 143.149005 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -17.3646 eV Re[Sigma]= -58.930060 meV Im[Sigma]= 42.127928 meV Z= 0.994716 lam= 0.005313 E( 2 )= -6.7590 eV Re[Sigma]= -15.655805 meV Im[Sigma]= 108.549204 meV Z= 1.011615 lam= -0.011482 E( 3 )= -5.2110 eV Re[Sigma]= 2.961003 meV Im[Sigma]= 106.752570 meV Z= 1.019069 lam= -0.018713 E( 4 )= -5.2110 eV Re[Sigma]= 2.760152 meV Im[Sigma]= 105.956805 meV Z= 1.019157 lam= -0.018797 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015189 meV Im[Sigma]= 43.224544 meV Z= 1.007620 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958623 meV Im[Sigma]= 102.190248 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273096 meV Im[Sigma]= 167.533985 meV Z= 1.035892 lam= -0.034648 E( 4 )= -2.6027 eV Re[Sigma]= 80.474534 meV Im[Sigma]= 167.236831 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.338762 meV Im[Sigma]= 40.534757 meV Z= 1.002330 lam= -0.002325 E( 2 )= -9.2191 eV Re[Sigma]= -13.643464 meV Im[Sigma]= 49.628199 meV Z= 0.997292 lam= 0.002716 E( 3 )= -2.0907 eV Re[Sigma]= 96.280520 meV Im[Sigma]= 145.326353 meV Z= 1.021948 lam= -0.021477 E( 4 )= -2.0907 eV Re[Sigma]= 96.970220 meV Im[Sigma]= 146.631708 meV Z= 1.021922 lam= -0.021452 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623136 meV Im[Sigma]= 68.211691 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103534 meV Im[Sigma]= 57.853842 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340514 meV Im[Sigma]= 120.238706 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266175 meV Im[Sigma]= 163.897644 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.581271 meV Im[Sigma]= 60.623476 meV Z= 1.003811 lam= -0.003796 E( 2 )= -10.6632 eV Re[Sigma]= -15.301751 meV Im[Sigma]= 65.095293 meV Z= 1.006752 lam= -0.006706 E( 3 )= -9.4579 eV Re[Sigma]= 2.604742 meV Im[Sigma]= 39.546025 meV Z= 0.995880 lam= 0.004137 E( 4 )= -4.5555 eV Re[Sigma]= 12.356769 meV Im[Sigma]= 124.567245 meV Z= 1.016622 lam= -0.016351 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306327 meV Im[Sigma]= 56.077130 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714495 meV Im[Sigma]= 56.833856 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546360 meV Im[Sigma]= 82.757728 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241019 meV Im[Sigma]= 80.027582 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.221198 meV Im[Sigma]= 56.068209 meV Z= 1.000168 lam= -0.000168 E( 2 )= -10.2664 eV Re[Sigma]= -12.333223 meV Im[Sigma]= 57.068803 meV Z= 1.000464 lam= -0.000464 E( 3 )= -7.2955 eV Re[Sigma]= -11.005462 meV Im[Sigma]= 83.965677 meV Z= 1.018399 lam= -0.018067 E( 4 )= -5.9070 eV Re[Sigma]= -4.795958 meV Im[Sigma]= 78.113582 meV Z= 1.002530 lam= -0.002523 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722263 meV Im[Sigma]= 72.551768 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814691 meV Im[Sigma]= 49.834487 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489406 meV Im[Sigma]= 87.639745 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725610 meV Im[Sigma]= 142.115840 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.566200 meV Im[Sigma]= 68.249521 meV Z= 1.015118 lam= -0.014893 E( 2 )= -10.7517 eV Re[Sigma]= -7.255810 meV Im[Sigma]= 57.761676 meV Z= 1.005393 lam= -0.005364 E( 3 )= -5.2472 eV Re[Sigma]= 0.487577 meV Im[Sigma]= 121.322908 meV Z= 1.022860 lam= -0.022349 E( 4 )= -2.6593 eV Re[Sigma]= 70.741975 meV Im[Sigma]= 161.650373 meV Z= 1.042872 lam= -0.041110 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206632 meV Im[Sigma]= 62.541005 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484325 meV Im[Sigma]= 65.235997 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755822 meV Im[Sigma]= 134.100614 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529898 meV Im[Sigma]= 142.418174 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.809963 meV Im[Sigma]= 61.805651 meV Z= 1.001409 lam= -0.001407 E( 2 )= -11.9153 eV Re[Sigma]= -4.747704 meV Im[Sigma]= 66.400424 meV Z= 1.009668 lam= -0.009575 E( 3 )= -7.7465 eV Re[Sigma]= -18.527352 meV Im[Sigma]= 76.768699 meV Z= 1.006441 lam= -0.006400 E( 4 )= -5.2565 eV Re[Sigma]= 1.743903 meV Im[Sigma]= 111.085101 meV Z= 1.020937 lam= -0.020507 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871591 meV Im[Sigma]= 79.957128 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492705 meV Im[Sigma]= 75.576259 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339626 meV Im[Sigma]= 41.487506 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462856 meV Im[Sigma]= 78.069487 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.525864 meV Im[Sigma]= 60.329843 meV Z= 1.003539 lam= -0.003527 E( 2 )= -10.6632 eV Re[Sigma]= -14.928799 meV Im[Sigma]= 64.848863 meV Z= 1.006733 lam= -0.006688 E( 3 )= -9.4579 eV Re[Sigma]= 2.042596 meV Im[Sigma]= 40.767718 meV Z= 0.996245 lam= 0.003769 E( 4 )= -4.5555 eV Re[Sigma]= 11.676056 meV Im[Sigma]= 121.278121 meV Z= 1.015919 lam= -0.015669 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.541687 meV Im[Sigma]= 61.501537 meV Z= 1.001087 lam= -0.001085 E( 2 )= -11.9153 eV Re[Sigma]= -4.455200 meV Im[Sigma]= 66.907162 meV Z= 1.010113 lam= -0.010012 E( 3 )= -7.7465 eV Re[Sigma]= -18.849602 meV Im[Sigma]= 76.190738 meV Z= 1.006297 lam= -0.006257 E( 4 )= -5.2565 eV Re[Sigma]= 3.263908 meV Im[Sigma]= 108.410866 meV Z= 1.020210 lam= -0.019809 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.525870 meV Im[Sigma]= 60.329904 meV Z= 1.003539 lam= -0.003527 E( 2 )= -10.6632 eV Re[Sigma]= -14.928749 meV Im[Sigma]= 64.848901 meV Z= 1.006733 lam= -0.006688 E( 3 )= -9.4579 eV Re[Sigma]= 2.042603 meV Im[Sigma]= 40.767759 meV Z= 0.996245 lam= 0.003769 E( 4 )= -4.5555 eV Re[Sigma]= 11.676027 meV Im[Sigma]= 121.278085 meV Z= 1.015918 lam= -0.015669 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866124 meV Im[Sigma]= 61.530489 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502121 meV Im[Sigma]= 67.454766 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378397 meV Im[Sigma]= 76.058806 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810858 meV Im[Sigma]= 109.184841 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.581289 meV Im[Sigma]= 60.623511 meV Z= 1.003811 lam= -0.003796 E( 2 )= -10.6632 eV Re[Sigma]= -15.301631 meV Im[Sigma]= 65.095325 meV Z= 1.006752 lam= -0.006707 E( 3 )= -9.4579 eV Re[Sigma]= 2.604731 meV Im[Sigma]= 39.546025 meV Z= 0.995880 lam= 0.004137 E( 4 )= -4.5555 eV Re[Sigma]= 12.356790 meV Im[Sigma]= 124.567241 meV Z= 1.016622 lam= -0.016351 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866057 meV Im[Sigma]= 61.530534 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.501935 meV Im[Sigma]= 67.454654 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378396 meV Im[Sigma]= 76.058710 meV Z= 1.006225 lam= -0.006186 E( 4 )= -5.2565 eV Re[Sigma]= 2.810857 meV Im[Sigma]= 109.184773 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.566259 meV Im[Sigma]= 68.249837 meV Z= 1.015118 lam= -0.014893 E( 2 )= -10.7517 eV Re[Sigma]= -7.255742 meV Im[Sigma]= 57.761592 meV Z= 1.005393 lam= -0.005364 E( 3 )= -5.2472 eV Re[Sigma]= 0.487538 meV Im[Sigma]= 121.322810 meV Z= 1.022860 lam= -0.022349 E( 4 )= -2.6593 eV Re[Sigma]= 70.741823 meV Im[Sigma]= 161.650253 meV Z= 1.042872 lam= -0.041110 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722283 meV Im[Sigma]= 72.551880 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814838 meV Im[Sigma]= 49.834437 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489285 meV Im[Sigma]= 87.639756 meV Z= 1.015651 lam= -0.015410 E( 4 )= -3.9563 eV Re[Sigma]= 26.725665 meV Im[Sigma]= 142.116177 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.221188 meV Im[Sigma]= 56.068460 meV Z= 1.000168 lam= -0.000168 E( 2 )= -10.2664 eV Re[Sigma]= -12.333192 meV Im[Sigma]= 57.068777 meV Z= 1.000464 lam= -0.000464 E( 3 )= -7.2955 eV Re[Sigma]= -11.005451 meV Im[Sigma]= 83.965883 meV Z= 1.018399 lam= -0.018067 E( 4 )= -5.9070 eV Re[Sigma]= -4.795847 meV Im[Sigma]= 78.113633 meV Z= 1.002530 lam= -0.002523 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871400 meV Im[Sigma]= 79.956953 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492600 meV Im[Sigma]= 75.576254 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339705 meV Im[Sigma]= 41.487648 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462840 meV Im[Sigma]= 78.069530 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.809912 meV Im[Sigma]= 61.805582 meV Z= 1.001409 lam= -0.001407 E( 2 )= -11.9153 eV Re[Sigma]= -4.747616 meV Im[Sigma]= 66.400388 meV Z= 1.009668 lam= -0.009575 E( 3 )= -7.7465 eV Re[Sigma]= -18.527492 meV Im[Sigma]= 76.768639 meV Z= 1.006441 lam= -0.006399 E( 4 )= -5.2565 eV Re[Sigma]= 1.743922 meV Im[Sigma]= 111.085119 meV Z= 1.020937 lam= -0.020507 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206513 meV Im[Sigma]= 62.541397 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484210 meV Im[Sigma]= 65.235830 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755644 meV Im[Sigma]= 134.100342 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529981 meV Im[Sigma]= 142.418285 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.6077 eV Re[Sigma]= -40.965415 meV Im[Sigma]= 59.575816 meV Z= 1.004765 lam= -0.004742 E( 2 )= -14.0678 eV Re[Sigma]= -10.055375 meV Im[Sigma]= 62.458964 meV Z= 1.003647 lam= -0.003634 E( 3 )= -2.9614 eV Re[Sigma]= 54.154347 meV Im[Sigma]= 173.042478 meV Z= 1.045799 lam= -0.043793 E( 4 )= -2.9614 eV Re[Sigma]= 54.144771 meV Im[Sigma]= 172.997898 meV Z= 1.045789 lam= -0.043784 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206565 meV Im[Sigma]= 62.541271 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484415 meV Im[Sigma]= 65.235796 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755924 meV Im[Sigma]= 134.100386 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529982 meV Im[Sigma]= 142.418117 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306274 meV Im[Sigma]= 56.077158 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714446 meV Im[Sigma]= 56.833842 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546185 meV Im[Sigma]= 82.757759 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241069 meV Im[Sigma]= 80.027632 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.8708 eV Re[Sigma]= -28.997389 meV Im[Sigma]= 63.142289 meV Z= 1.000478 lam= -0.000478 E( 2 )= -11.9934 eV Re[Sigma]= -20.805283 meV Im[Sigma]= 78.316025 meV Z= 1.012450 lam= -0.012297 E( 3 )= -6.9896 eV Re[Sigma]= -4.167352 meV Im[Sigma]= 69.874571 meV Z= 1.014624 lam= -0.014413 E( 4 )= -6.9896 eV Re[Sigma]= -4.205711 meV Im[Sigma]= 70.134489 meV Z= 1.014724 lam= -0.014510 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306194 meV Im[Sigma]= 56.077069 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714470 meV Im[Sigma]= 56.833891 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546530 meV Im[Sigma]= 82.757699 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241026 meV Im[Sigma]= 80.027383 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206489 meV Im[Sigma]= 62.541101 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484423 meV Im[Sigma]= 65.235949 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755655 meV Im[Sigma]= 134.100614 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529976 meV Im[Sigma]= 142.417906 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.223742 meV Im[Sigma]= 63.287672 meV Z= 1.004602 lam= -0.004581 E( 2 )= -12.4383 eV Re[Sigma]= -11.337017 meV Im[Sigma]= 65.621848 meV Z= 1.008719 lam= -0.008644 E( 3 )= -4.5379 eV Re[Sigma]= 12.104372 meV Im[Sigma]= 135.510045 meV Z= 1.018357 lam= -0.018026 E( 4 )= -3.8929 eV Re[Sigma]= 24.247375 meV Im[Sigma]= 140.529639 meV Z= 1.024754 lam= -0.024156 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623167 meV Im[Sigma]= 68.211874 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103569 meV Im[Sigma]= 57.853773 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340554 meV Im[Sigma]= 120.238523 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266033 meV Im[Sigma]= 163.897588 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837006 meV Im[Sigma]= 72.506780 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613809 meV Im[Sigma]= 50.530755 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879809 meV Im[Sigma]= 87.564860 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626785 meV Im[Sigma]= 143.148675 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.507789 meV Im[Sigma]= 56.054087 meV Z= 1.000150 lam= -0.000150 E( 2 )= -10.2664 eV Re[Sigma]= -12.769411 meV Im[Sigma]= 57.168928 meV Z= 1.000424 lam= -0.000424 E( 3 )= -7.2955 eV Re[Sigma]= -11.406803 meV Im[Sigma]= 84.739099 meV Z= 1.018885 lam= -0.018535 E( 4 )= -5.9070 eV Re[Sigma]= -5.762642 meV Im[Sigma]= 78.310793 meV Z= 1.002730 lam= -0.002723 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871451 meV Im[Sigma]= 79.956819 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492719 meV Im[Sigma]= 75.576403 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339549 meV Im[Sigma]= 41.487589 meV Z= 0.992729 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462914 meV Im[Sigma]= 78.069429 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866141 meV Im[Sigma]= 61.530451 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502161 meV Im[Sigma]= 67.454847 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378370 meV Im[Sigma]= 76.058843 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810763 meV Im[Sigma]= 109.184786 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.507955 meV Im[Sigma]= 56.054092 meV Z= 1.000150 lam= -0.000150 E( 2 )= -10.2664 eV Re[Sigma]= -12.769468 meV Im[Sigma]= 57.168850 meV Z= 1.000424 lam= -0.000423 E( 3 )= -7.2955 eV Re[Sigma]= -11.406776 meV Im[Sigma]= 84.739227 meV Z= 1.018886 lam= -0.018536 E( 4 )= -5.9070 eV Re[Sigma]= -5.762754 meV Im[Sigma]= 78.311143 meV Z= 1.002730 lam= -0.002723 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837074 meV Im[Sigma]= 72.506665 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613725 meV Im[Sigma]= 50.530801 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879757 meV Im[Sigma]= 87.564946 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626742 meV Im[Sigma]= 143.148755 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623120 meV Im[Sigma]= 68.211682 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103551 meV Im[Sigma]= 57.853816 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340573 meV Im[Sigma]= 120.238693 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266160 meV Im[Sigma]= 163.897593 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.223638 meV Im[Sigma]= 63.287343 meV Z= 1.004602 lam= -0.004580 E( 2 )= -12.4383 eV Re[Sigma]= -11.337022 meV Im[Sigma]= 65.621725 meV Z= 1.008719 lam= -0.008644 E( 3 )= -4.5379 eV Re[Sigma]= 12.104364 meV Im[Sigma]= 135.510440 meV Z= 1.018357 lam= -0.018026 E( 4 )= -3.8929 eV Re[Sigma]= 24.247525 meV Im[Sigma]= 140.529874 meV Z= 1.024754 lam= -0.024156 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866146 meV Im[Sigma]= 61.530498 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502030 meV Im[Sigma]= 67.454667 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378452 meV Im[Sigma]= 76.058821 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810826 meV Im[Sigma]= 109.184939 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871504 meV Im[Sigma]= 79.957039 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492726 meV Im[Sigma]= 75.576234 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339690 meV Im[Sigma]= 41.487605 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462863 meV Im[Sigma]= 78.069549 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.8708 eV Re[Sigma]= -28.997839 meV Im[Sigma]= 63.142476 meV Z= 1.000478 lam= -0.000478 E( 2 )= -11.9934 eV Re[Sigma]= -20.805309 meV Im[Sigma]= 78.315759 meV Z= 1.012450 lam= -0.012297 E( 3 )= -6.9896 eV Re[Sigma]= -4.303618 meV Im[Sigma]= 70.798265 meV Z= 1.014980 lam= -0.014759 E( 4 )= -6.9896 eV Re[Sigma]= -4.069678 meV Im[Sigma]= 69.210472 meV Z= 1.014368 lam= -0.014164 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306322 meV Im[Sigma]= 56.077132 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714418 meV Im[Sigma]= 56.833907 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546318 meV Im[Sigma]= 82.757908 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241032 meV Im[Sigma]= 80.027179 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206611 meV Im[Sigma]= 62.541002 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484306 meV Im[Sigma]= 65.236034 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755994 meV Im[Sigma]= 134.100456 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529953 meV Im[Sigma]= 142.418119 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.6077 eV Re[Sigma]= -40.965783 meV Im[Sigma]= 59.575340 meV Z= 1.004765 lam= -0.004742 E( 2 )= -14.0678 eV Re[Sigma]= -10.055237 meV Im[Sigma]= 62.459077 meV Z= 1.003648 lam= -0.003634 E( 3 )= -2.9614 eV Re[Sigma]= 54.080561 meV Im[Sigma]= 172.687065 meV Z= 1.045719 lam= -0.043721 E( 4 )= -2.9614 eV Re[Sigma]= 54.218960 meV Im[Sigma]= 173.354179 meV Z= 1.045868 lam= -0.043857 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206728 meV Im[Sigma]= 62.541276 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484327 meV Im[Sigma]= 65.235752 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755448 meV Im[Sigma]= 134.101197 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.530055 meV Im[Sigma]= 142.418172 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306273 meV Im[Sigma]= 56.077217 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714390 meV Im[Sigma]= 56.833827 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546526 meV Im[Sigma]= 82.757680 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241013 meV Im[Sigma]= 80.027578 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.507754 meV Im[Sigma]= 56.054007 meV Z= 1.000150 lam= -0.000150 E( 2 )= -10.2664 eV Re[Sigma]= -12.769335 meV Im[Sigma]= 57.168929 meV Z= 1.000424 lam= -0.000424 E( 3 )= -7.2955 eV Re[Sigma]= -11.406785 meV Im[Sigma]= 84.739108 meV Z= 1.018885 lam= -0.018535 E( 4 )= -5.9070 eV Re[Sigma]= -5.762981 meV Im[Sigma]= 78.311105 meV Z= 1.002730 lam= -0.002723 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871632 meV Im[Sigma]= 79.957038 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492673 meV Im[Sigma]= 75.576307 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339507 meV Im[Sigma]= 41.487601 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462815 meV Im[Sigma]= 78.069291 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866172 meV Im[Sigma]= 61.530583 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502113 meV Im[Sigma]= 67.454834 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378247 meV Im[Sigma]= 76.058780 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810841 meV Im[Sigma]= 109.184848 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.223939 meV Im[Sigma]= 63.287624 meV Z= 1.004602 lam= -0.004581 E( 2 )= -12.4383 eV Re[Sigma]= -11.337063 meV Im[Sigma]= 65.621921 meV Z= 1.008719 lam= -0.008644 E( 3 )= -4.5379 eV Re[Sigma]= 12.103983 meV Im[Sigma]= 135.510423 meV Z= 1.018357 lam= -0.018026 E( 4 )= -3.8929 eV Re[Sigma]= 24.247652 meV Im[Sigma]= 140.529754 meV Z= 1.024754 lam= -0.024156 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623360 meV Im[Sigma]= 68.211969 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103592 meV Im[Sigma]= 57.853828 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340726 meV Im[Sigma]= 120.238640 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266217 meV Im[Sigma]= 163.898848 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.836995 meV Im[Sigma]= 72.507000 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613577 meV Im[Sigma]= 50.530731 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879864 meV Im[Sigma]= 87.564955 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626645 meV Im[Sigma]= 143.149759 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.223617 meV Im[Sigma]= 63.287664 meV Z= 1.004602 lam= -0.004581 E( 2 )= -12.4383 eV Re[Sigma]= -11.336931 meV Im[Sigma]= 65.621759 meV Z= 1.008719 lam= -0.008644 E( 3 )= -4.5379 eV Re[Sigma]= 12.104091 meV Im[Sigma]= 135.510497 meV Z= 1.018357 lam= -0.018026 E( 4 )= -3.8929 eV Re[Sigma]= 24.247697 meV Im[Sigma]= 140.529475 meV Z= 1.024754 lam= -0.024156 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866126 meV Im[Sigma]= 61.530594 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502129 meV Im[Sigma]= 67.454696 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378270 meV Im[Sigma]= 76.058498 meV Z= 1.006225 lam= -0.006186 E( 4 )= -5.2565 eV Re[Sigma]= 2.810896 meV Im[Sigma]= 109.184848 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871385 meV Im[Sigma]= 79.957119 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492655 meV Im[Sigma]= 75.576347 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339633 meV Im[Sigma]= 41.487547 meV Z= 0.992729 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462794 meV Im[Sigma]= 78.069629 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.507722 meV Im[Sigma]= 56.054284 meV Z= 1.000150 lam= -0.000150 E( 2 )= -10.2664 eV Re[Sigma]= -12.769348 meV Im[Sigma]= 57.168854 meV Z= 1.000424 lam= -0.000424 E( 3 )= -7.2955 eV Re[Sigma]= -11.406735 meV Im[Sigma]= 84.739113 meV Z= 1.018886 lam= -0.018535 E( 4 )= -5.9070 eV Re[Sigma]= -5.762859 meV Im[Sigma]= 78.311235 meV Z= 1.002730 lam= -0.002723 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837080 meV Im[Sigma]= 72.506884 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613705 meV Im[Sigma]= 50.530784 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.880190 meV Im[Sigma]= 87.565200 meV Z= 1.015487 lam= -0.015251 E( 4 )= -3.9563 eV Re[Sigma]= 26.626651 meV Im[Sigma]= 143.148776 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623122 meV Im[Sigma]= 68.211957 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103445 meV Im[Sigma]= 57.853773 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340633 meV Im[Sigma]= 120.238741 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266297 meV Im[Sigma]= 163.898417 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.338812 meV Im[Sigma]= 40.534811 meV Z= 1.002330 lam= -0.002325 E( 2 )= -9.2191 eV Re[Sigma]= -13.643588 meV Im[Sigma]= 49.628209 meV Z= 0.997292 lam= 0.002716 E( 3 )= -2.0907 eV Re[Sigma]= 96.684557 meV Im[Sigma]= 146.091543 meV Z= 1.021933 lam= -0.021462 E( 4 )= -2.0907 eV Re[Sigma]= 96.566427 meV Im[Sigma]= 145.867493 meV Z= 1.021937 lam= -0.021466 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623320 meV Im[Sigma]= 68.211816 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103528 meV Im[Sigma]= 57.853857 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340549 meV Im[Sigma]= 120.238686 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266190 meV Im[Sigma]= 163.897978 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.581353 meV Im[Sigma]= 60.623541 meV Z= 1.003811 lam= -0.003796 E( 2 )= -10.6632 eV Re[Sigma]= -15.301633 meV Im[Sigma]= 65.095414 meV Z= 1.006752 lam= -0.006707 E( 3 )= -9.4579 eV Re[Sigma]= 2.604801 meV Im[Sigma]= 39.546023 meV Z= 0.995880 lam= 0.004137 E( 4 )= -4.5555 eV Re[Sigma]= 12.356651 meV Im[Sigma]= 124.567268 meV Z= 1.016622 lam= -0.016351 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306121 meV Im[Sigma]= 56.077160 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714441 meV Im[Sigma]= 56.833953 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546519 meV Im[Sigma]= 82.757754 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241075 meV Im[Sigma]= 80.027536 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -17.3646 eV Re[Sigma]= -58.930019 meV Im[Sigma]= 42.128207 meV Z= 0.994716 lam= 0.005313 E( 2 )= -6.7590 eV Re[Sigma]= -15.655608 meV Im[Sigma]= 108.548923 meV Z= 1.011615 lam= -0.011482 E( 3 )= -5.2110 eV Re[Sigma]= 2.976067 meV Im[Sigma]= 106.812908 meV Z= 1.019063 lam= -0.018706 E( 4 )= -5.2110 eV Re[Sigma]= 2.744258 meV Im[Sigma]= 105.897000 meV Z= 1.019164 lam= -0.018803 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015200 meV Im[Sigma]= 43.224728 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958875 meV Im[Sigma]= 102.190471 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273158 meV Im[Sigma]= 167.534260 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474473 meV Im[Sigma]= 167.237134 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.566215 meV Im[Sigma]= 68.249688 meV Z= 1.015118 lam= -0.014893 E( 2 )= -10.7517 eV Re[Sigma]= -7.255920 meV Im[Sigma]= 57.761717 meV Z= 1.005393 lam= -0.005364 E( 3 )= -5.2472 eV Re[Sigma]= 0.487580 meV Im[Sigma]= 121.322929 meV Z= 1.022860 lam= -0.022349 E( 4 )= -2.6593 eV Re[Sigma]= 70.741665 meV Im[Sigma]= 161.650649 meV Z= 1.042873 lam= -0.041110 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206593 meV Im[Sigma]= 62.541052 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484372 meV Im[Sigma]= 65.235946 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755631 meV Im[Sigma]= 134.100117 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.530211 meV Im[Sigma]= 142.418443 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.809918 meV Im[Sigma]= 61.805484 meV Z= 1.001409 lam= -0.001407 E( 2 )= -11.9153 eV Re[Sigma]= -4.747767 meV Im[Sigma]= 66.400438 meV Z= 1.009668 lam= -0.009575 E( 3 )= -7.7465 eV Re[Sigma]= -18.527234 meV Im[Sigma]= 76.768601 meV Z= 1.006441 lam= -0.006400 E( 4 )= -5.2565 eV Re[Sigma]= 1.744003 meV Im[Sigma]= 111.085594 meV Z= 1.020937 lam= -0.020507 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871343 meV Im[Sigma]= 79.956935 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492710 meV Im[Sigma]= 75.576350 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339586 meV Im[Sigma]= 41.487564 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462943 meV Im[Sigma]= 78.069605 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.220962 meV Im[Sigma]= 56.068236 meV Z= 1.000168 lam= -0.000168 E( 2 )= -10.2664 eV Re[Sigma]= -12.333106 meV Im[Sigma]= 57.068780 meV Z= 1.000464 lam= -0.000464 E( 3 )= -7.2955 eV Re[Sigma]= -11.005368 meV Im[Sigma]= 83.965428 meV Z= 1.018399 lam= -0.018067 E( 4 )= -5.9070 eV Re[Sigma]= -4.796250 meV Im[Sigma]= 78.113802 meV Z= 1.002530 lam= -0.002523 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722180 meV Im[Sigma]= 72.551763 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814889 meV Im[Sigma]= 49.834553 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489409 meV Im[Sigma]= 87.639455 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725447 meV Im[Sigma]= 142.116169 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.525870 meV Im[Sigma]= 60.329904 meV Z= 1.003539 lam= -0.003527 E( 2 )= -10.6632 eV Re[Sigma]= -14.928749 meV Im[Sigma]= 64.848900 meV Z= 1.006733 lam= -0.006688 E( 3 )= -9.4579 eV Re[Sigma]= 2.042602 meV Im[Sigma]= 40.767760 meV Z= 0.996245 lam= 0.003769 E( 4 )= -4.5555 eV Re[Sigma]= 11.676028 meV Im[Sigma]= 121.278075 meV Z= 1.015918 lam= -0.015669 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866125 meV Im[Sigma]= 61.530463 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502073 meV Im[Sigma]= 67.454790 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378387 meV Im[Sigma]= 76.058781 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810853 meV Im[Sigma]= 109.184819 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.581272 meV Im[Sigma]= 60.623476 meV Z= 1.003811 lam= -0.003796 E( 2 )= -10.6632 eV Re[Sigma]= -15.301752 meV Im[Sigma]= 65.095292 meV Z= 1.006752 lam= -0.006706 E( 3 )= -9.4579 eV Re[Sigma]= 2.604746 meV Im[Sigma]= 39.546026 meV Z= 0.995880 lam= 0.004137 E( 4 )= -4.5555 eV Re[Sigma]= 12.356770 meV Im[Sigma]= 124.567242 meV Z= 1.016622 lam= -0.016351 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866077 meV Im[Sigma]= 61.530641 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502016 meV Im[Sigma]= 67.454682 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378437 meV Im[Sigma]= 76.058666 meV Z= 1.006225 lam= -0.006186 E( 4 )= -5.2565 eV Re[Sigma]= 2.810842 meV Im[Sigma]= 109.185090 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.525863 meV Im[Sigma]= 60.329843 meV Z= 1.003539 lam= -0.003527 E( 2 )= -10.6632 eV Re[Sigma]= -14.928801 meV Im[Sigma]= 64.848864 meV Z= 1.006733 lam= -0.006688 E( 3 )= -9.4579 eV Re[Sigma]= 2.042586 meV Im[Sigma]= 40.767716 meV Z= 0.996245 lam= 0.003769 E( 4 )= -4.5555 eV Re[Sigma]= 11.676059 meV Im[Sigma]= 121.278118 meV Z= 1.015919 lam= -0.015669 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.541580 meV Im[Sigma]= 61.501438 meV Z= 1.001087 lam= -0.001085 E( 2 )= -11.9153 eV Re[Sigma]= -4.455189 meV Im[Sigma]= 66.907086 meV Z= 1.010113 lam= -0.010012 E( 3 )= -7.7465 eV Re[Sigma]= -18.849649 meV Im[Sigma]= 76.190575 meV Z= 1.006297 lam= -0.006257 E( 4 )= -5.2565 eV Re[Sigma]= 3.263970 meV Im[Sigma]= 108.410974 meV Z= 1.020210 lam= -0.019809 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.221079 meV Im[Sigma]= 56.068377 meV Z= 1.000168 lam= -0.000168 E( 2 )= -10.2664 eV Re[Sigma]= -12.333063 meV Im[Sigma]= 57.068751 meV Z= 1.000464 lam= -0.000464 E( 3 )= -7.2955 eV Re[Sigma]= -11.005458 meV Im[Sigma]= 83.965764 meV Z= 1.018399 lam= -0.018067 E( 4 )= -5.9070 eV Re[Sigma]= -4.796237 meV Im[Sigma]= 78.114031 meV Z= 1.002530 lam= -0.002523 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871528 meV Im[Sigma]= 79.956923 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492671 meV Im[Sigma]= 75.576299 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339653 meV Im[Sigma]= 41.487537 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462889 meV Im[Sigma]= 78.069555 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.809923 meV Im[Sigma]= 61.805589 meV Z= 1.001409 lam= -0.001407 E( 2 )= -11.9153 eV Re[Sigma]= -4.747722 meV Im[Sigma]= 66.400368 meV Z= 1.009668 lam= -0.009575 E( 3 )= -7.7465 eV Re[Sigma]= -18.527199 meV Im[Sigma]= 76.768937 meV Z= 1.006441 lam= -0.006400 E( 4 )= -5.2565 eV Re[Sigma]= 1.743866 meV Im[Sigma]= 111.085178 meV Z= 1.020937 lam= -0.020507 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206767 meV Im[Sigma]= 62.541310 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484296 meV Im[Sigma]= 65.235764 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755570 meV Im[Sigma]= 134.100704 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.530130 meV Im[Sigma]= 142.418709 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.566326 meV Im[Sigma]= 68.249813 meV Z= 1.015118 lam= -0.014893 E( 2 )= -10.7517 eV Re[Sigma]= -7.255816 meV Im[Sigma]= 57.761609 meV Z= 1.005393 lam= -0.005364 E( 3 )= -5.2472 eV Re[Sigma]= 0.487474 meV Im[Sigma]= 121.323439 meV Z= 1.022860 lam= -0.022349 E( 4 )= -2.6593 eV Re[Sigma]= 70.741980 meV Im[Sigma]= 161.651310 meV Z= 1.042873 lam= -0.041110 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722204 meV Im[Sigma]= 72.552085 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814797 meV Im[Sigma]= 49.834475 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489576 meV Im[Sigma]= 87.639880 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725537 meV Im[Sigma]= 142.116500 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -17.3646 eV Re[Sigma]= -58.930038 meV Im[Sigma]= 42.128258 meV Z= 0.994716 lam= 0.005313 E( 2 )= -6.7590 eV Re[Sigma]= -15.655642 meV Im[Sigma]= 108.549040 meV Z= 1.011615 lam= -0.011482 E( 3 )= -5.2110 eV Re[Sigma]= 2.786626 meV Im[Sigma]= 106.067736 meV Z= 1.019145 lam= -0.018786 E( 4 )= -5.2110 eV Re[Sigma]= 2.933621 meV Im[Sigma]= 106.642262 meV Z= 1.019082 lam= -0.018724 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306182 meV Im[Sigma]= 56.077094 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714330 meV Im[Sigma]= 56.833809 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546616 meV Im[Sigma]= 82.757682 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241083 meV Im[Sigma]= 80.027474 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.7489 eV Re[Sigma]= -39.581328 meV Im[Sigma]= 60.623543 meV Z= 1.003811 lam= -0.003796 E( 2 )= -10.6632 eV Re[Sigma]= -15.301652 meV Im[Sigma]= 65.095452 meV Z= 1.006752 lam= -0.006707 E( 3 )= -9.4579 eV Re[Sigma]= 2.604829 meV Im[Sigma]= 39.546052 meV Z= 0.995880 lam= 0.004137 E( 4 )= -4.5555 eV Re[Sigma]= 12.356679 meV Im[Sigma]= 124.567453 meV Z= 1.016622 lam= -0.016351 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623452 meV Im[Sigma]= 68.211889 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103596 meV Im[Sigma]= 57.853807 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340831 meV Im[Sigma]= 120.238324 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266201 meV Im[Sigma]= 163.898369 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -18.3978 eV Re[Sigma]= -56.338929 meV Im[Sigma]= 40.534786 meV Z= 1.002330 lam= -0.002325 E( 2 )= -9.2191 eV Re[Sigma]= -13.643549 meV Im[Sigma]= 49.628218 meV Z= 0.997292 lam= 0.002716 E( 3 )= -2.0907 eV Re[Sigma]= 96.327695 meV Im[Sigma]= 145.416688 meV Z= 1.021946 lam= -0.021475 E( 4 )= -2.0907 eV Re[Sigma]= 96.923255 meV Im[Sigma]= 146.543468 meV Z= 1.021924 lam= -0.021454 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015226 meV Im[Sigma]= 43.224972 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958839 meV Im[Sigma]= 102.190198 meV Z= 1.018021 lam= -0.017702 E( 3 )= -3.2910 eV Re[Sigma]= 47.273075 meV Im[Sigma]= 167.534439 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474481 meV Im[Sigma]= 167.239114 meV Z= 1.042447 lam= -0.040719 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.006487 meV Im[Sigma]= 43.010301 meV Z= 1.007519 lam= -0.007463 E( 2 )= -6.9063 eV Re[Sigma]= -10.493436 meV Im[Sigma]= 103.625707 meV Z= 1.018621 lam= -0.018280 E( 3 )= -3.2910 eV Re[Sigma]= 46.957735 meV Im[Sigma]= 163.849164 meV Z= 1.034365 lam= -0.033224 E( 4 )= -2.6027 eV Re[Sigma]= 80.525604 meV Im[Sigma]= 170.826973 meV Z= 1.043892 lam= -0.042046 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837037 meV Im[Sigma]= 72.506931 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613668 meV Im[Sigma]= 50.530755 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879930 meV Im[Sigma]= 87.564797 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626510 meV Im[Sigma]= 143.149024 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.809869 meV Im[Sigma]= 61.805544 meV Z= 1.001409 lam= -0.001407 E( 2 )= -11.9153 eV Re[Sigma]= -4.747479 meV Im[Sigma]= 66.400493 meV Z= 1.009668 lam= -0.009575 E( 3 )= -7.7465 eV Re[Sigma]= -18.527487 meV Im[Sigma]= 76.768750 meV Z= 1.006441 lam= -0.006400 E( 4 )= -5.2565 eV Re[Sigma]= 1.743886 meV Im[Sigma]= 111.085252 meV Z= 1.020937 lam= -0.020507 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837060 meV Im[Sigma]= 72.506921 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613942 meV Im[Sigma]= 50.530927 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879552 meV Im[Sigma]= 87.564734 meV Z= 1.015487 lam= -0.015251 E( 4 )= -3.9563 eV Re[Sigma]= 26.626497 meV Im[Sigma]= 143.149475 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.006556 meV Im[Sigma]= 43.010110 meV Z= 1.007519 lam= -0.007463 E( 2 )= -6.9063 eV Re[Sigma]= -10.493519 meV Im[Sigma]= 103.626177 meV Z= 1.018621 lam= -0.018280 E( 3 )= -3.2910 eV Re[Sigma]= 46.957689 meV Im[Sigma]= 163.848181 meV Z= 1.034365 lam= -0.033223 E( 4 )= -2.6027 eV Re[Sigma]= 80.525170 meV Im[Sigma]= 170.827128 meV Z= 1.043892 lam= -0.042046 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.036036 meV Im[Sigma]= 34.913712 meV Z= 1.000970 lam= -0.000969 E( 2 )= -5.3692 eV Re[Sigma]= -1.131626 meV Im[Sigma]= 135.238563 meV Z= 1.027487 lam= -0.026751 E( 3 )= -3.4193 eV Re[Sigma]= 47.454657 meV Im[Sigma]= 173.782083 meV Z= 1.035224 lam= -0.034026 E( 4 )= -0.9512 eV Re[Sigma]= 116.890021 meV Im[Sigma]= 86.618380 meV Z= 1.004789 lam= -0.004766 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.524199 meV Im[Sigma]= 15.299872 meV Z= 0.997612 lam= 0.002394 E( 2 )= -2.5926 eV Re[Sigma]= 91.317935 meV Im[Sigma]= 184.017881 meV Z= 1.046154 lam= -0.044118 E( 3 )= -0.4527 eV Re[Sigma]= 133.614713 meV Im[Sigma]= 76.872811 meV Z= 1.002112 lam= -0.002107 E( 4 )= -0.4527 eV Re[Sigma]= 133.601687 meV Im[Sigma]= 76.839874 meV Z= 1.002102 lam= -0.002097 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.036024 meV Im[Sigma]= 34.913322 meV Z= 1.000969 lam= -0.000969 E( 2 )= -5.3692 eV Re[Sigma]= -1.131905 meV Im[Sigma]= 135.238401 meV Z= 1.027487 lam= -0.026751 E( 3 )= -3.4193 eV Re[Sigma]= 47.454929 meV Im[Sigma]= 173.782017 meV Z= 1.035224 lam= -0.034026 E( 4 )= -0.9512 eV Re[Sigma]= 116.889676 meV Im[Sigma]= 86.617653 meV Z= 1.004789 lam= -0.004766 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623316 meV Im[Sigma]= 68.212087 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103388 meV Im[Sigma]= 57.853673 meV Z= 1.005376 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340478 meV Im[Sigma]= 120.238593 meV Z= 1.022394 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266097 meV Im[Sigma]= 163.897802 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206423 meV Im[Sigma]= 62.541096 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484245 meV Im[Sigma]= 65.236026 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755478 meV Im[Sigma]= 134.100585 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.530030 meV Im[Sigma]= 142.418010 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015193 meV Im[Sigma]= 43.224740 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958690 meV Im[Sigma]= 102.190540 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273144 meV Im[Sigma]= 167.534550 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474420 meV Im[Sigma]= 167.237210 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -20.5714 eV Re[Sigma]= -65.355205 meV Im[Sigma]= 17.272794 meV Z= 0.996894 lam= 0.003115 E( 2 )= -1.7294 eV Re[Sigma]= 116.919741 meV Im[Sigma]= 132.882995 meV Z= 1.010075 lam= -0.009975 E( 3 )= -1.5590 eV Re[Sigma]= 114.345371 meV Im[Sigma]= 113.537174 meV Z= 1.005620 lam= -0.005588 E( 4 )= -1.5590 eV Re[Sigma]= 114.149679 meV Im[Sigma]= 113.085510 meV Z= 1.005588 lam= -0.005557 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.085360 meV Im[Sigma]= 34.877652 meV Z= 1.000936 lam= -0.000935 E( 2 )= -5.3692 eV Re[Sigma]= -2.541724 meV Im[Sigma]= 135.935222 meV Z= 1.027848 lam= -0.027094 E( 3 )= -3.4193 eV Re[Sigma]= 47.612567 meV Im[Sigma]= 170.384446 meV Z= 1.033358 lam= -0.032281 E( 4 )= -0.9512 eV Re[Sigma]= 114.503887 meV Im[Sigma]= 85.835751 meV Z= 1.005285 lam= -0.005257 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015263 meV Im[Sigma]= 43.224542 meV Z= 1.007620 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958775 meV Im[Sigma]= 102.190349 meV Z= 1.018022 lam= -0.017703 E( 3 )= -3.2910 eV Re[Sigma]= 47.273317 meV Im[Sigma]= 167.534939 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474319 meV Im[Sigma]= 167.236893 meV Z= 1.042446 lam= -0.040718 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837185 meV Im[Sigma]= 72.506784 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613735 meV Im[Sigma]= 50.530848 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.879903 meV Im[Sigma]= 87.564912 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626809 meV Im[Sigma]= 143.149124 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866092 meV Im[Sigma]= 61.530454 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.502077 meV Im[Sigma]= 67.454907 meV Z= 1.010419 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378343 meV Im[Sigma]= 76.058732 meV Z= 1.006225 lam= -0.006187 E( 4 )= -5.2565 eV Re[Sigma]= 2.810735 meV Im[Sigma]= 109.184852 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722168 meV Im[Sigma]= 72.551752 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814612 meV Im[Sigma]= 49.834416 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489846 meV Im[Sigma]= 87.639738 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725492 meV Im[Sigma]= 142.115736 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.104729 meV Im[Sigma]= 43.284410 meV Z= 1.007632 lam= -0.007574 E( 2 )= -6.9063 eV Re[Sigma]= -11.692917 meV Im[Sigma]= 102.514138 meV Z= 1.017929 lam= -0.017613 E( 3 )= -3.2910 eV Re[Sigma]= 46.488970 meV Im[Sigma]= 163.655390 meV Z= 1.034583 lam= -0.033427 E( 4 )= -2.6027 eV Re[Sigma]= 80.230055 meV Im[Sigma]= 166.721390 meV Z= 1.042259 lam= -0.040545 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.636991 meV Im[Sigma]= 68.665275 meV Z= 1.015239 lam= -0.015010 E( 2 )= -10.7517 eV Re[Sigma]= -7.174313 meV Im[Sigma]= 57.647385 meV Z= 1.005261 lam= -0.005233 E( 3 )= -5.2472 eV Re[Sigma]= 1.807898 meV Im[Sigma]= 119.642161 meV Z= 1.022489 lam= -0.021995 E( 4 )= -2.6593 eV Re[Sigma]= 70.841423 meV Im[Sigma]= 161.384968 meV Z= 1.042851 lam= -0.041091 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722248 meV Im[Sigma]= 72.551872 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814815 meV Im[Sigma]= 49.834443 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489415 meV Im[Sigma]= 87.639680 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725550 meV Im[Sigma]= 142.116031 meV Z= 1.024787 lam= -0.024187 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306284 meV Im[Sigma]= 56.077139 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714502 meV Im[Sigma]= 56.833896 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546326 meV Im[Sigma]= 82.757703 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.240971 meV Im[Sigma]= 80.027667 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871344 meV Im[Sigma]= 79.956978 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492628 meV Im[Sigma]= 75.576310 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339612 meV Im[Sigma]= 41.487464 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462917 meV Im[Sigma]= 78.069946 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.541610 meV Im[Sigma]= 61.501426 meV Z= 1.001087 lam= -0.001085 E( 2 )= -11.9153 eV Re[Sigma]= -4.455220 meV Im[Sigma]= 66.907077 meV Z= 1.010113 lam= -0.010012 E( 3 )= -7.7465 eV Re[Sigma]= -18.849604 meV Im[Sigma]= 76.190635 meV Z= 1.006297 lam= -0.006257 E( 4 )= -5.2565 eV Re[Sigma]= 3.263978 meV Im[Sigma]= 108.411060 meV Z= 1.020210 lam= -0.019809 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -39.866200 meV Im[Sigma]= 63.145420 meV Z= 1.004350 lam= -0.004331 E( 2 )= -12.4383 eV Re[Sigma]= -11.545435 meV Im[Sigma]= 65.718024 meV Z= 1.008844 lam= -0.008767 E( 3 )= -4.5379 eV Re[Sigma]= 13.060759 meV Im[Sigma]= 133.534202 meV Z= 1.018110 lam= -0.017788 E( 4 )= -3.8929 eV Re[Sigma]= 24.408914 meV Im[Sigma]= 139.505760 meV Z= 1.024600 lam= -0.024010 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -39.866067 meV Im[Sigma]= 63.145278 meV Z= 1.004350 lam= -0.004331 E( 2 )= -12.4383 eV Re[Sigma]= -11.545388 meV Im[Sigma]= 65.718100 meV Z= 1.008844 lam= -0.008767 E( 3 )= -4.5379 eV Re[Sigma]= 13.060230 meV Im[Sigma]= 133.534394 meV Z= 1.018110 lam= -0.017788 E( 4 )= -3.8929 eV Re[Sigma]= 24.409468 meV Im[Sigma]= 139.505938 meV Z= 1.024601 lam= -0.024010 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.541606 meV Im[Sigma]= 61.501463 meV Z= 1.001087 lam= -0.001085 E( 2 )= -11.9153 eV Re[Sigma]= -4.455259 meV Im[Sigma]= 66.907100 meV Z= 1.010113 lam= -0.010012 E( 3 )= -7.7465 eV Re[Sigma]= -18.849472 meV Im[Sigma]= 76.190532 meV Z= 1.006297 lam= -0.006257 E( 4 )= -5.2565 eV Re[Sigma]= 3.264040 meV Im[Sigma]= 108.411362 meV Z= 1.020210 lam= -0.019809 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.0052 eV Re[Sigma]= -24.871536 meV Im[Sigma]= 79.957028 meV Z= 1.015947 lam= -0.015697 E( 2 )= -11.7636 eV Re[Sigma]= -23.492745 meV Im[Sigma]= 75.576192 meV Z= 1.006779 lam= -0.006733 E( 3 )= -8.4117 eV Re[Sigma]= -8.339680 meV Im[Sigma]= 41.487707 meV Z= 0.992728 lam= 0.007325 E( 4 )= -7.0563 eV Re[Sigma]= -3.462788 meV Im[Sigma]= 78.069565 meV Z= 1.016948 lam= -0.016666 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -14.5793 eV Re[Sigma]= -37.306118 meV Im[Sigma]= 56.077338 meV Z= 1.000191 lam= -0.000191 E( 2 )= -10.2664 eV Re[Sigma]= -12.714373 meV Im[Sigma]= 56.833776 meV Z= 1.000355 lam= -0.000355 E( 3 )= -7.2955 eV Re[Sigma]= -10.546418 meV Im[Sigma]= 82.757705 meV Z= 1.018011 lam= -0.017692 E( 4 )= -5.9070 eV Re[Sigma]= -5.241254 meV Im[Sigma]= 80.028119 meV Z= 1.002837 lam= -0.002829 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722162 meV Im[Sigma]= 72.552141 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814755 meV Im[Sigma]= 49.834498 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489586 meV Im[Sigma]= 87.639689 meV Z= 1.015651 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725732 meV Im[Sigma]= 142.117209 meV Z= 1.024787 lam= -0.024188 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.636883 meV Im[Sigma]= 68.665131 meV Z= 1.015239 lam= -0.015010 E( 2 )= -10.7517 eV Re[Sigma]= -7.174455 meV Im[Sigma]= 57.647305 meV Z= 1.005261 lam= -0.005233 E( 3 )= -5.2472 eV Re[Sigma]= 1.807784 meV Im[Sigma]= 119.642627 meV Z= 1.022489 lam= -0.021995 E( 4 )= -2.6593 eV Re[Sigma]= 70.841476 meV Im[Sigma]= 161.385506 meV Z= 1.042852 lam= -0.041091 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.104816 meV Im[Sigma]= 43.284568 meV Z= 1.007632 lam= -0.007574 E( 2 )= -6.9063 eV Re[Sigma]= -11.692955 meV Im[Sigma]= 102.514295 meV Z= 1.017929 lam= -0.017613 E( 3 )= -3.2910 eV Re[Sigma]= 46.488919 meV Im[Sigma]= 163.656447 meV Z= 1.034584 lam= -0.033428 E( 4 )= -2.6027 eV Re[Sigma]= 80.230085 meV Im[Sigma]= 166.722037 meV Z= 1.042259 lam= -0.040546 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.722137 meV Im[Sigma]= 72.552046 meV Z= 1.014355 lam= -0.014152 E( 2 )= -8.9488 eV Re[Sigma]= -18.814455 meV Im[Sigma]= 49.834410 meV Z= 0.996140 lam= 0.003875 E( 3 )= -6.9060 eV Re[Sigma]= -4.489616 meV Im[Sigma]= 87.639502 meV Z= 1.015650 lam= -0.015409 E( 4 )= -3.9563 eV Re[Sigma]= 26.725696 meV Im[Sigma]= 142.117109 meV Z= 1.024787 lam= -0.024188 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.5072 eV Re[Sigma]= -42.866077 meV Im[Sigma]= 61.530524 meV Z= 1.001109 lam= -0.001108 E( 2 )= -11.9153 eV Re[Sigma]= -4.501943 meV Im[Sigma]= 67.454724 meV Z= 1.010418 lam= -0.010311 E( 3 )= -7.7465 eV Re[Sigma]= -19.378606 meV Im[Sigma]= 76.058687 meV Z= 1.006225 lam= -0.006186 E( 4 )= -5.2565 eV Re[Sigma]= 2.810782 meV Im[Sigma]= 109.184956 meV Z= 1.020288 lam= -0.019885 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.2688 eV Re[Sigma]= -48.837068 meV Im[Sigma]= 72.507083 meV Z= 1.014393 lam= -0.014189 E( 2 )= -8.9488 eV Re[Sigma]= -18.613713 meV Im[Sigma]= 50.530828 meV Z= 0.996385 lam= 0.003628 E( 3 )= -6.9060 eV Re[Sigma]= -4.880108 meV Im[Sigma]= 87.565080 meV Z= 1.015487 lam= -0.015250 E( 4 )= -3.9563 eV Re[Sigma]= 26.626573 meV Im[Sigma]= 143.149426 meV Z= 1.024969 lam= -0.024361 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015311 meV Im[Sigma]= 43.224998 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958838 meV Im[Sigma]= 102.189993 meV Z= 1.018021 lam= -0.017702 E( 3 )= -3.2910 eV Re[Sigma]= 47.273104 meV Im[Sigma]= 167.535824 meV Z= 1.035893 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474623 meV Im[Sigma]= 167.238200 meV Z= 1.042447 lam= -0.040719 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.085544 meV Im[Sigma]= 34.877838 meV Z= 1.000936 lam= -0.000935 E( 2 )= -5.3692 eV Re[Sigma]= -2.541815 meV Im[Sigma]= 135.935277 meV Z= 1.027848 lam= -0.027094 E( 3 )= -3.4193 eV Re[Sigma]= 47.612299 meV Im[Sigma]= 170.386066 meV Z= 1.033358 lam= -0.032281 E( 4 )= -0.9512 eV Re[Sigma]= 114.504128 meV Im[Sigma]= 85.836111 meV Z= 1.005285 lam= -0.005257 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -20.5714 eV Re[Sigma]= -65.355259 meV Im[Sigma]= 17.272758 meV Z= 0.996894 lam= 0.003115 E( 2 )= -1.7294 eV Re[Sigma]= 116.919606 meV Im[Sigma]= 132.882782 meV Z= 1.010075 lam= -0.009975 E( 3 )= -1.5590 eV Re[Sigma]= 114.607117 meV Im[Sigma]= 114.143016 meV Z= 1.005662 lam= -0.005631 E( 4 )= -1.5590 eV Re[Sigma]= 113.888535 meV Im[Sigma]= 112.480399 meV Z= 1.005545 lam= -0.005515 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -18.6527 eV Re[Sigma]= -59.015247 meV Im[Sigma]= 43.224844 meV Z= 1.007621 lam= -0.007563 E( 2 )= -6.9063 eV Re[Sigma]= -10.958592 meV Im[Sigma]= 102.190030 meV Z= 1.018021 lam= -0.017702 E( 3 )= -3.2910 eV Re[Sigma]= 47.273143 meV Im[Sigma]= 167.534392 meV Z= 1.035892 lam= -0.034649 E( 4 )= -2.6027 eV Re[Sigma]= 80.474634 meV Im[Sigma]= 167.237764 meV Z= 1.042447 lam= -0.040718 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -15.5565 eV Re[Sigma]= -40.206457 meV Im[Sigma]= 62.541397 meV Z= 1.004137 lam= -0.004120 E( 2 )= -12.4383 eV Re[Sigma]= -11.484252 meV Im[Sigma]= 65.235788 meV Z= 1.008652 lam= -0.008578 E( 3 )= -4.5379 eV Re[Sigma]= 12.755725 meV Im[Sigma]= 134.100550 meV Z= 1.018132 lam= -0.017809 E( 4 )= -3.8929 eV Re[Sigma]= 24.529904 meV Im[Sigma]= 142.418180 meV Z= 1.025045 lam= -0.024433 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -16.6105 eV Re[Sigma]= -54.623185 meV Im[Sigma]= 68.211719 meV Z= 1.015079 lam= -0.014855 E( 2 )= -10.7517 eV Re[Sigma]= -7.103346 meV Im[Sigma]= 57.853719 meV Z= 1.005375 lam= -0.005347 E( 3 )= -5.2472 eV Re[Sigma]= 1.340706 meV Im[Sigma]= 120.238818 meV Z= 1.022395 lam= -0.021904 E( 4 )= -2.6593 eV Re[Sigma]= 72.266130 meV Im[Sigma]= 163.898494 meV Z= 1.043274 lam= -0.041479 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -19.4313 eV Re[Sigma]= -66.036030 meV Im[Sigma]= 34.913551 meV Z= 1.000970 lam= -0.000969 E( 2 )= -5.3692 eV Re[Sigma]= -1.132081 meV Im[Sigma]= 135.239164 meV Z= 1.027487 lam= -0.026752 E( 3 )= -3.4193 eV Re[Sigma]= 47.454738 meV Im[Sigma]= 173.781116 meV Z= 1.035224 lam= -0.034026 E( 4 )= -0.9512 eV Re[Sigma]= 116.889841 meV Im[Sigma]= 86.617737 meV Z= 1.004789 lam= -0.004766 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -20.7958 eV Re[Sigma]= -65.524236 meV Im[Sigma]= 15.299858 meV Z= 0.997612 lam= 0.002394 E( 2 )= -2.5926 eV Re[Sigma]= 91.318285 meV Im[Sigma]= 184.018160 meV Z= 1.046154 lam= -0.044118 E( 3 )= -0.4527 eV Re[Sigma]= 133.639671 meV Im[Sigma]= 76.936567 meV Z= 1.002132 lam= -0.002127 E( 4 )= -0.4527 eV Re[Sigma]= 133.576764 meV Im[Sigma]= 76.776073 meV Z= 1.002082 lam= -0.002077 ------------------------------------------------------------------- 1 1 -21.5330 -64.6741 6.8123 0.9934 0.0067 2 1 -20.7958 -65.5242 15.2998 0.9976 0.0024 3 1 -18.3978 -56.3389 40.5347 1.0023 -0.0023 4 1 -15.6077 -40.9653 59.5758 1.0048 -0.0047 5 1 -18.3978 -56.3388 40.5347 1.0023 -0.0023 6 1 -20.7958 -65.5242 15.2998 0.9976 0.0024 7 1 -20.7958 -65.4861 15.4077 0.9977 0.0023 8 1 -20.5714 -65.3551 17.2728 0.9969 0.0031 9 1 -18.6527 -59.0065 43.0099 1.0075 -0.0075 10 1 -15.5565 -40.2236 63.2878 1.0046 -0.0046 11 1 -16.6105 -54.5662 68.2497 1.0151 -0.0149 12 1 -19.4313 -66.0853 34.8776 1.0009 -0.0009 13 1 -18.3978 -56.5808 40.5542 1.0023 -0.0023 14 1 -18.6527 -59.1047 43.2844 1.0076 -0.0076 15 1 -17.3646 -58.9301 42.1279 0.9947 0.0053 16 1 -14.5793 -37.5078 56.0541 1.0002 -0.0002 17 1 -13.7489 -39.5259 60.3299 1.0035 -0.0035 18 1 -16.6105 -54.6370 68.6652 1.0152 -0.0150 19 1 -15.6077 -40.4541 58.9384 1.0042 -0.0042 20 1 -15.5565 -39.8662 63.1455 1.0043 -0.0043 21 1 -14.5793 -37.2211 56.0682 1.0002 -0.0002 22 1 -12.8708 -28.9976 63.1424 1.0005 -0.0005 23 1 -14.5793 -37.2210 56.0683 1.0002 -0.0002 24 1 -15.5565 -39.8661 63.1453 1.0043 -0.0043 25 1 -18.3978 -56.5807 40.5545 1.0023 -0.0023 26 1 -16.6105 -54.6368 68.6650 1.0152 -0.0150 27 1 -13.7489 -39.5260 60.3298 1.0035 -0.0035 28 1 -14.5793 -37.5076 56.0542 1.0002 -0.0002 29 1 -17.3646 -58.9299 42.1285 0.9947 0.0053 30 1 -18.6527 -59.1048 43.2848 1.0076 -0.0076 31 1 -20.7958 -65.4863 15.4077 0.9977 0.0023 32 1 -19.4313 -66.0855 34.8777 1.0009 -0.0009 33 1 -16.6105 -54.5663 68.2500 1.0151 -0.0149 34 1 -15.5565 -40.2236 63.2876 1.0046 -0.0046 35 1 -18.6527 -59.0065 43.0102 1.0075 -0.0075 36 1 -20.5714 -65.3553 17.2727 0.9969 0.0031 37 1 -20.7958 -65.5242 15.2998 0.9976 0.0024 38 1 -20.5714 -65.3553 17.2727 0.9969 0.0031 39 1 -18.6527 -59.0152 43.2247 1.0076 -0.0076 40 1 -15.5565 -40.2065 62.5414 1.0041 -0.0041 41 1 -16.6105 -54.6233 68.2118 1.0151 -0.0149 42 1 -19.4313 -66.0360 34.9133 1.0010 -0.0010 43 1 -20.5714 -65.3551 17.2728 0.9969 0.0031 44 1 -20.7958 -65.5242 15.2998 0.9976 0.0024 45 1 -19.4313 -66.0360 34.9134 1.0010 -0.0010 46 1 -16.6105 -54.6231 68.2119 1.0151 -0.0149 47 1 -15.5565 -40.2066 62.5412 1.0041 -0.0041 48 1 -18.6527 -59.0152 43.2245 1.0076 -0.0076 49 1 -18.6527 -59.1047 43.2844 1.0076 -0.0076 50 1 -19.4313 -66.0853 34.8776 1.0009 -0.0009 51 1 -18.6527 -59.0152 43.2245 1.0076 -0.0076 52 1 -16.2688 -48.8371 72.5066 1.0144 -0.0142 53 1 -13.5072 -42.8661 61.5305 1.0011 -0.0011 54 1 -16.2688 -48.7223 72.5518 1.0144 -0.0142 55 1 -15.5565 -39.8662 63.1456 1.0043 -0.0043 56 1 -16.6105 -54.6370 68.6653 1.0152 -0.0150 57 1 -16.2688 -48.7222 72.5517 1.0144 -0.0142 58 1 -14.5793 -37.3063 56.0771 1.0002 -0.0002 59 1 -12.0052 -24.8714 79.9569 1.0159 -0.0157 60 1 -13.5072 -42.5416 61.5015 1.0011 -0.0011 61 1 -16.6105 -54.6369 68.6652 1.0152 -0.0150 62 1 -15.5565 -39.8662 63.1451 1.0043 -0.0043 63 1 -13.5072 -42.5417 61.5014 1.0011 -0.0011 64 1 -12.0052 -24.8715 79.9572 1.0159 -0.0157 65 1 -14.5793 -37.3061 56.0771 1.0002 -0.0002 66 1 -16.2688 -48.7221 72.5521 1.0144 -0.0142 67 1 -19.4313 -66.0855 34.8777 1.0009 -0.0009 68 1 -18.6527 -59.1048 43.2844 1.0076 -0.0076 69 1 -16.2688 -48.7223 72.5518 1.0144 -0.0142 70 1 -13.5072 -42.8660 61.5306 1.0011 -0.0011 71 1 -16.2688 -48.8370 72.5070 1.0144 -0.0142 72 1 -18.6527 -59.0152 43.2250 1.0076 -0.0076 73 1 -18.3978 -56.3389 40.5347 1.0023 -0.0023 74 1 -18.6527 -59.0152 43.2247 1.0076 -0.0076 75 1 -17.3646 -58.9301 42.1280 0.9947 0.0053 76 1 -14.5793 -37.3062 56.0772 1.0002 -0.0002 77 1 -13.7489 -39.5813 60.6235 1.0038 -0.0038 78 1 -16.6105 -54.6233 68.2119 1.0151 -0.0149 79 1 -18.6527 -59.0065 43.0099 1.0075 -0.0075 80 1 -19.4313 -66.0360 34.9134 1.0010 -0.0010 81 1 -18.6527 -59.0064 43.0101 1.0075 -0.0075 82 1 -16.2688 -48.8370 72.5067 1.0144 -0.0142 83 1 -13.5072 -42.8099 61.8055 1.0014 -0.0014 84 1 -16.2688 -48.8372 72.5067 1.0144 -0.0142 85 1 -17.3646 -58.9301 42.1279 0.9947 0.0053 86 1 -18.6527 -59.0152 43.2245 1.0076 -0.0076 87 1 -18.3978 -56.3388 40.5348 1.0023 -0.0023 88 1 -16.6105 -54.6231 68.2117 1.0151 -0.0149 89 1 -13.7489 -39.5813 60.6235 1.0038 -0.0038 90 1 -14.5793 -37.3063 56.0771 1.0002 -0.0002 91 1 -14.5793 -37.2212 56.0682 1.0002 -0.0002 92 1 -16.2688 -48.7223 72.5518 1.0144 -0.0142 93 1 -16.6105 -54.5662 68.2495 1.0151 -0.0149 94 1 -15.5565 -40.2066 62.5410 1.0041 -0.0041 95 1 -13.5072 -42.8100 61.8057 1.0014 -0.0014 96 1 -12.0052 -24.8716 79.9571 1.0159 -0.0157 97 1 -13.7489 -39.5259 60.3298 1.0035 -0.0035 98 1 -13.5072 -42.5417 61.5015 1.0011 -0.0011 99 1 -13.7489 -39.5259 60.3299 1.0035 -0.0035 100 1 -13.5072 -42.8661 61.5305 1.0011 -0.0011 101 1 -13.7489 -39.5813 60.6235 1.0038 -0.0038 102 1 -13.5072 -42.8661 61.5305 1.0011 -0.0011 103 1 -16.6105 -54.5663 68.2498 1.0151 -0.0149 104 1 -16.2688 -48.7223 72.5519 1.0144 -0.0142 105 1 -14.5793 -37.2212 56.0685 1.0002 -0.0002 106 1 -12.0052 -24.8714 79.9570 1.0159 -0.0157 107 1 -13.5072 -42.8099 61.8056 1.0014 -0.0014 108 1 -15.5565 -40.2065 62.5414 1.0041 -0.0041 109 1 -15.6077 -40.9654 59.5758 1.0048 -0.0047 110 1 -15.5565 -40.2066 62.5413 1.0041 -0.0041 111 1 -14.5793 -37.3063 56.0772 1.0002 -0.0002 112 1 -12.8708 -28.9974 63.1423 1.0005 -0.0005 113 1 -14.5793 -37.3062 56.0771 1.0002 -0.0002 114 1 -15.5565 -40.2065 62.5411 1.0041 -0.0041 115 1 -15.5565 -40.2237 63.2877 1.0046 -0.0046 116 1 -16.6105 -54.6232 68.2119 1.0151 -0.0149 117 1 -16.2688 -48.8370 72.5068 1.0144 -0.0142 118 1 -14.5793 -37.5078 56.0541 1.0002 -0.0002 119 1 -12.0052 -24.8715 79.9568 1.0159 -0.0157 120 1 -13.5072 -42.8661 61.5305 1.0011 -0.0011 121 1 -14.5793 -37.5080 56.0541 1.0002 -0.0002 122 1 -16.2688 -48.8371 72.5067 1.0144 -0.0142 123 1 -16.6105 -54.6231 68.2117 1.0151 -0.0149 124 1 -15.5565 -40.2236 63.2873 1.0046 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-0.0115 16 2 -10.2664 -12.7694 57.1688 1.0004 -0.0004 17 2 -10.6632 -14.9286 64.8489 1.0067 -0.0067 18 2 -10.7517 -7.1742 57.6474 1.0053 -0.0052 19 2 -14.0678 -10.7798 63.2235 1.0041 -0.0041 20 2 -12.4383 -11.5455 65.7179 1.0088 -0.0088 21 2 -10.2664 -12.3332 57.0688 1.0005 -0.0005 22 2 -11.9934 -20.8052 78.3157 1.0124 -0.0123 23 2 -10.2664 -12.3330 57.0688 1.0005 -0.0005 24 2 -12.4383 -11.5456 65.7182 1.0088 -0.0088 25 2 -9.2191 -14.1277 49.3783 0.9971 0.0029 26 2 -10.7517 -7.1743 57.6474 1.0053 -0.0052 27 2 -10.6632 -14.9287 64.8490 1.0067 -0.0067 28 2 -10.2664 -12.7695 57.1689 1.0004 -0.0004 29 2 -6.7590 -15.6555 108.5491 1.0116 -0.0115 30 2 -6.9063 -11.6933 102.5144 1.0179 -0.0176 31 2 -2.5926 90.7711 187.3172 1.0476 -0.0454 32 2 -5.3692 -2.5413 135.9348 1.0278 -0.0271 33 2 -10.7517 -7.2556 57.7616 1.0054 -0.0054 34 2 -12.4383 -11.3369 65.6218 1.0087 -0.0086 35 2 -6.9063 -10.4935 103.6257 1.0186 -0.0183 36 2 -1.7294 116.9196 132.8829 1.0101 -0.0100 37 2 -2.5926 91.3180 184.0173 1.0462 -0.0441 38 2 -1.7294 116.9196 132.8832 1.0101 -0.0100 39 2 -6.9063 -10.9586 102.1902 1.0180 -0.0177 40 2 -12.4383 -11.4843 65.2358 1.0087 -0.0086 41 2 -10.7517 -7.1034 57.8538 1.0054 -0.0053 42 2 -5.3692 -1.1318 135.2384 1.0275 -0.0268 43 2 -1.7294 116.9197 132.8830 1.0101 -0.0100 44 2 -2.5926 91.3179 184.0179 1.0462 -0.0441 45 2 -5.3692 -1.1318 135.2382 1.0275 -0.0268 46 2 -10.7517 -7.1035 57.8539 1.0054 -0.0053 47 2 -12.4383 -11.4842 65.2360 1.0087 -0.0086 48 2 -6.9063 -10.9587 102.1902 1.0180 -0.0177 49 2 -6.9063 -11.6930 102.5142 1.0179 -0.0176 50 2 -5.3692 -2.5415 135.9349 1.0278 -0.0271 51 2 -6.9063 -10.9587 102.1903 1.0180 -0.0177 52 2 -8.9488 -18.6137 50.5308 0.9964 0.0036 53 2 -11.9153 -4.5021 67.4549 1.0104 -0.0103 54 2 -8.9488 -18.8146 49.8345 0.9961 0.0039 55 2 -12.4383 -11.5454 65.7180 1.0088 -0.0088 56 2 -10.7517 -7.1743 57.6474 1.0053 -0.0052 57 2 -8.9488 -18.8148 49.8344 0.9961 0.0039 58 2 -10.2664 -12.7145 56.8338 1.0004 -0.0004 59 2 -11.7636 -23.4926 75.5762 1.0068 -0.0067 60 2 -11.9153 -4.4552 66.9071 1.0101 -0.0100 61 2 -10.7517 -7.1744 57.6474 1.0053 -0.0052 62 2 -12.4383 -11.5454 65.7182 1.0088 -0.0088 63 2 -11.9153 -4.4553 66.9071 1.0101 -0.0100 64 2 -11.7636 -23.4926 75.5762 1.0068 -0.0067 65 2 -10.2664 -12.7143 56.8338 1.0004 -0.0004 66 2 -8.9488 -18.8147 49.8345 0.9961 0.0039 67 2 -5.3692 -2.5417 135.9350 1.0278 -0.0271 68 2 -6.9063 -11.6930 102.5143 1.0179 -0.0176 69 2 -8.9488 -18.8147 49.8345 0.9961 0.0039 70 2 -11.9153 -4.5021 67.4547 1.0104 -0.0103 71 2 -8.9488 -18.6137 50.5308 0.9964 0.0036 72 2 -6.9063 -10.9585 102.1901 1.0180 -0.0177 73 2 -9.2191 -13.6434 49.6282 0.9973 0.0027 74 2 -6.9063 -10.9586 102.1903 1.0180 -0.0177 75 2 -6.7590 -15.6559 108.5491 1.0116 -0.0115 76 2 -10.2664 -12.7144 56.8338 1.0004 -0.0004 77 2 -10.6632 -15.3017 65.0953 1.0068 -0.0067 78 2 -10.7517 -7.1034 57.8538 1.0054 -0.0053 79 2 -6.9063 -10.4933 103.6260 1.0186 -0.0183 80 2 -5.3692 -1.1318 135.2383 1.0275 -0.0268 81 2 -6.9063 -10.4935 103.6257 1.0186 -0.0183 82 2 -8.9488 -18.6138 50.5307 0.9964 0.0036 83 2 -11.9153 -4.7477 66.4004 1.0097 -0.0096 84 2 -8.9488 -18.6137 50.5308 0.9964 0.0036 85 2 -6.7590 -15.6558 108.5492 1.0116 -0.0115 86 2 -6.9063 -10.9586 102.1902 1.0180 -0.0177 87 2 -9.2191 -13.6435 49.6282 0.9973 0.0027 88 2 -10.7517 -7.1035 57.8538 1.0054 -0.0053 89 2 -10.6632 -15.3018 65.0953 1.0068 -0.0067 90 2 -10.2664 -12.7145 56.8339 1.0004 -0.0004 91 2 -10.2664 -12.3332 57.0688 1.0005 -0.0005 92 2 -8.9488 -18.8147 49.8345 0.9961 0.0039 93 2 -10.7517 -7.2558 57.7617 1.0054 -0.0054 94 2 -12.4383 -11.4843 65.2360 1.0087 -0.0086 95 2 -11.9153 -4.7477 66.4004 1.0097 -0.0096 96 2 -11.7636 -23.4927 75.5763 1.0068 -0.0067 97 2 -10.6632 -14.9288 64.8489 1.0067 -0.0067 98 2 -11.9153 -4.4552 66.9072 1.0101 -0.0100 99 2 -10.6632 -14.9287 64.8489 1.0067 -0.0067 100 2 -11.9153 -4.5021 67.4548 1.0104 -0.0103 101 2 -10.6632 -15.3016 65.0953 1.0068 -0.0067 102 2 -11.9153 -4.5019 67.4547 1.0104 -0.0103 103 2 -10.7517 -7.2557 57.7616 1.0054 -0.0054 104 2 -8.9488 -18.8148 49.8344 0.9961 0.0039 105 2 -10.2664 -12.3332 57.0688 1.0005 -0.0005 106 2 -11.7636 -23.4926 75.5763 1.0068 -0.0067 107 2 -11.9153 -4.7476 66.4004 1.0097 -0.0096 108 2 -12.4383 -11.4842 65.2358 1.0087 -0.0086 109 2 -14.0678 -10.0554 62.4590 1.0036 -0.0036 110 2 -12.4383 -11.4844 65.2358 1.0087 -0.0086 111 2 -10.2664 -12.7144 56.8338 1.0004 -0.0004 112 2 -11.9934 -20.8053 78.3160 1.0124 -0.0123 113 2 -10.2664 -12.7145 56.8339 1.0004 -0.0004 114 2 -12.4383 -11.4844 65.2359 1.0087 -0.0086 115 2 -12.4383 -11.3370 65.6218 1.0087 -0.0086 116 2 -10.7517 -7.1036 57.8538 1.0054 -0.0053 117 2 -8.9488 -18.6138 50.5308 0.9964 0.0036 118 2 -10.2664 -12.7694 57.1689 1.0004 -0.0004 119 2 -11.7636 -23.4927 75.5764 1.0068 -0.0067 120 2 -11.9153 -4.5022 67.4548 1.0104 -0.0103 121 2 -10.2664 -12.7695 57.1689 1.0004 -0.0004 122 2 -8.9488 -18.6137 50.5308 0.9964 0.0036 123 2 -10.7517 -7.1036 57.8538 1.0054 -0.0053 124 2 -12.4383 -11.3370 65.6217 1.0087 -0.0086 125 2 -11.9153 -4.5020 67.4547 1.0104 -0.0103 126 2 -11.7636 -23.4927 75.5762 1.0068 -0.0067 127 2 -11.9934 -20.8053 78.3158 1.0124 -0.0123 128 2 -10.2664 -12.7144 56.8339 1.0004 -0.0004 129 2 -12.4383 -11.4843 65.2360 1.0087 -0.0086 130 2 -14.0678 -10.0552 62.4591 1.0036 -0.0036 131 2 -12.4383 -11.4843 65.2358 1.0087 -0.0086 132 2 -10.2664 -12.7144 56.8338 1.0004 -0.0004 133 2 -10.2664 -12.7693 57.1689 1.0004 -0.0004 134 2 -11.7636 -23.4927 75.5763 1.0068 -0.0067 135 2 -11.9153 -4.5021 67.4548 1.0104 -0.0103 136 2 -12.4383 -11.3371 65.6219 1.0087 -0.0086 137 2 -10.7517 -7.1036 57.8538 1.0054 -0.0053 138 2 -8.9488 -18.6136 50.5307 0.9964 0.0036 139 2 -12.4383 -11.3369 65.6218 1.0087 -0.0086 140 2 -11.9153 -4.5021 67.4547 1.0104 -0.0103 141 2 -11.7636 -23.4927 75.5763 1.0068 -0.0067 142 2 -10.2664 -12.7693 57.1689 1.0004 -0.0004 143 2 -8.9488 -18.6137 50.5308 0.9964 0.0036 144 2 -10.7517 -7.1034 57.8538 1.0054 -0.0053 145 2 -9.2191 -13.6436 49.6282 0.9973 0.0027 146 2 -10.7517 -7.1035 57.8539 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78.1141 1.0025 -0.0025 24 4 -3.8929 24.4094 139.5059 1.0246 -0.0240 25 4 -2.0907 95.2734 142.8510 1.0214 -0.0209 26 4 -2.6593 70.8416 161.3860 1.0429 -0.0411 27 4 -4.5555 11.6760 121.2784 1.0159 -0.0157 28 4 -5.9070 -5.7630 78.3113 1.0027 -0.0027 29 4 -5.2110 2.8285 106.2276 1.0191 -0.0188 30 4 -2.6027 80.2299 166.7221 1.0423 -0.0405 31 4 -0.4527 131.2869 74.6334 1.0017 -0.0017 32 4 -0.9512 114.5040 85.8361 1.0053 -0.0053 33 4 -2.6593 70.7419 161.6504 1.0429 -0.0411 34 4 -3.8929 24.2478 140.5297 1.0248 -0.0242 35 4 -2.6027 80.5256 170.8267 1.0439 -0.0420 36 4 -1.5590 114.8126 114.6178 1.0057 -0.0057 37 4 -0.4527 133.6327 76.9191 1.0021 -0.0021 38 4 -1.5590 114.2872 113.4033 1.0056 -0.0056 39 4 -2.6027 80.4744 167.2370 1.0424 -0.0407 40 4 -3.8929 24.5300 142.4180 1.0250 -0.0244 41 4 -2.6593 72.2661 163.8980 1.0433 -0.0415 42 4 -0.9512 116.8898 86.6177 1.0048 -0.0048 43 4 -1.5590 114.6010 114.1285 1.0057 -0.0056 44 4 -0.4527 133.5590 76.7315 1.0021 -0.0021 45 4 -0.9512 116.8896 86.6176 1.0048 -0.0048 46 4 -2.6593 72.2661 163.8976 1.0433 -0.0415 47 4 -3.8929 24.5301 142.4178 1.0250 -0.0244 48 4 -2.6027 80.4745 167.2373 1.0424 -0.0407 49 4 -2.6027 80.2301 166.7216 1.0423 -0.0405 50 4 -0.9512 114.5038 85.8356 1.0053 -0.0053 51 4 -2.6027 80.4746 167.2368 1.0424 -0.0407 52 4 -3.9563 26.6267 143.1488 1.0250 -0.0244 53 4 -5.2565 2.8108 109.1848 1.0203 -0.0199 54 4 -3.9563 26.7255 142.1163 1.0248 -0.0242 55 4 -3.8929 24.4090 139.5054 1.0246 -0.0240 56 4 -2.6593 70.8414 161.3850 1.0429 -0.0411 57 4 -3.9563 26.7258 142.1158 1.0248 -0.0242 58 4 -5.9070 -5.2410 80.0271 1.0028 -0.0028 59 4 -7.0563 -3.4628 78.0692 1.0169 -0.0167 60 4 -5.2565 3.2639 108.4109 1.0202 -0.0198 61 4 -2.6593 70.8414 161.3860 1.0429 -0.0411 62 4 -3.8929 24.4092 139.5054 1.0246 -0.0240 63 4 -5.2565 3.2640 108.4109 1.0202 -0.0198 64 4 -7.0563 -3.4628 78.0698 1.0169 -0.0167 65 4 -5.9070 -5.2412 80.0277 1.0028 -0.0028 66 4 -3.9563 26.7254 142.1159 1.0248 -0.0242 67 4 -0.9512 114.5039 85.8363 1.0053 -0.0053 68 4 -2.6027 80.2300 166.7221 1.0423 -0.0405 69 4 -3.9563 26.7256 142.1160 1.0248 -0.0242 70 4 -5.2565 2.8109 109.1852 1.0203 -0.0199 71 4 -3.9563 26.6266 143.1497 1.0250 -0.0244 72 4 -2.6027 80.4745 167.2376 1.0424 -0.0407 73 4 -2.0907 96.3423 145.4435 1.0219 -0.0215 74 4 -2.6027 80.4744 167.2370 1.0424 -0.0407 75 4 -5.2110 2.9166 106.5765 1.0191 -0.0187 76 4 -5.9070 -5.2410 80.0277 1.0028 -0.0028 77 4 -4.5555 12.3568 124.5673 1.0166 -0.0164 78 4 -2.6593 72.2661 163.8977 1.0433 -0.0415 79 4 -2.6027 80.5254 170.8266 1.0439 -0.0420 80 4 -0.9512 116.8895 86.6177 1.0048 -0.0048 81 4 -2.6027 80.5257 170.8265 1.0439 -0.0420 82 4 -3.9563 26.6267 143.1489 1.0250 -0.0244 83 4 -5.2565 1.7438 111.0851 1.0209 -0.0205 84 4 -3.9563 26.6267 143.1490 1.0250 -0.0244 85 4 -5.2110 2.7602 105.9568 1.0192 -0.0188 86 4 -2.6027 80.4745 167.2368 1.0424 -0.0407 87 4 -2.0907 96.9702 146.6317 1.0219 -0.0215 88 4 -2.6593 72.2662 163.8976 1.0433 -0.0415 89 4 -4.5555 12.3568 124.5672 1.0166 -0.0164 90 4 -5.9070 -5.2410 80.0276 1.0028 -0.0028 91 4 -5.9070 -4.7960 78.1136 1.0025 -0.0025 92 4 -3.9563 26.7256 142.1158 1.0248 -0.0242 93 4 -2.6593 70.7420 161.6504 1.0429 -0.0411 94 4 -3.8929 24.5299 142.4182 1.0250 -0.0244 95 4 -5.2565 1.7439 111.0851 1.0209 -0.0205 96 4 -7.0563 -3.4629 78.0695 1.0169 -0.0167 97 4 -4.5555 11.6761 121.2781 1.0159 -0.0157 98 4 -5.2565 3.2639 108.4109 1.0202 -0.0198 99 4 -4.5555 11.6760 121.2781 1.0159 -0.0157 100 4 -5.2565 2.8109 109.1848 1.0203 -0.0199 101 4 -4.5555 12.3568 124.5672 1.0166 -0.0164 102 4 -5.2565 2.8109 109.1848 1.0203 -0.0199 103 4 -2.6593 70.7418 161.6503 1.0429 -0.0411 104 4 -3.9563 26.7257 142.1162 1.0248 -0.0242 105 4 -5.9070 -4.7958 78.1136 1.0025 -0.0025 106 4 -7.0563 -3.4628 78.0695 1.0169 -0.0167 107 4 -5.2565 1.7439 111.0851 1.0209 -0.0205 108 4 -3.8929 24.5300 142.4183 1.0250 -0.0244 109 4 -2.9614 54.1448 172.9979 1.0458 -0.0438 110 4 -3.8929 24.5300 142.4181 1.0250 -0.0244 111 4 -5.9070 -5.2411 80.0276 1.0028 -0.0028 112 4 -6.9896 -4.2057 70.1345 1.0147 -0.0145 113 4 -5.9070 -5.2410 80.0274 1.0028 -0.0028 114 4 -3.8929 24.5300 142.4179 1.0250 -0.0244 115 4 -3.8929 24.2474 140.5296 1.0248 -0.0242 116 4 -2.6593 72.2660 163.8976 1.0433 -0.0415 117 4 -3.9563 26.6268 143.1487 1.0250 -0.0244 118 4 -5.9070 -5.7626 78.3108 1.0027 -0.0027 119 4 -7.0563 -3.4629 78.0694 1.0169 -0.0167 120 4 -5.2565 2.8108 109.1848 1.0203 -0.0199 121 4 -5.9070 -5.7628 78.3111 1.0027 -0.0027 122 4 -3.9563 26.6267 143.1488 1.0250 -0.0244 123 4 -2.6593 72.2662 163.8976 1.0433 -0.0415 124 4 -3.8929 24.2475 140.5299 1.0248 -0.0242 125 4 -5.2565 2.8108 109.1849 1.0203 -0.0199 126 4 -7.0563 -3.4629 78.0695 1.0169 -0.0167 127 4 -6.9896 -4.0697 69.2105 1.0144 -0.0142 128 4 -5.9070 -5.2410 80.0272 1.0028 -0.0028 129 4 -3.8929 24.5300 142.4181 1.0250 -0.0244 130 4 -2.9614 54.2190 173.3542 1.0459 -0.0439 131 4 -3.8929 24.5301 142.4182 1.0250 -0.0244 132 4 -5.9070 -5.2410 80.0276 1.0028 -0.0028 133 4 -5.9070 -5.7630 78.3111 1.0027 -0.0027 134 4 -7.0563 -3.4628 78.0693 1.0169 -0.0167 135 4 -5.2565 2.8108 109.1848 1.0203 -0.0199 136 4 -3.8929 24.2477 140.5298 1.0248 -0.0242 137 4 -2.6593 72.2662 163.8988 1.0433 -0.0415 138 4 -3.9563 26.6266 143.1498 1.0250 -0.0244 139 4 -3.8929 24.2477 140.5295 1.0248 -0.0242 140 4 -5.2565 2.8109 109.1848 1.0203 -0.0199 141 4 -7.0563 -3.4628 78.0696 1.0169 -0.0167 142 4 -5.9070 -5.7629 78.3112 1.0027 -0.0027 143 4 -3.9563 26.6267 143.1488 1.0250 -0.0244 144 4 -2.6593 72.2663 163.8984 1.0433 -0.0415 145 4 -2.0907 96.5664 145.8675 1.0219 -0.0215 146 4 -2.6593 72.2662 163.8980 1.0433 -0.0415 147 4 -4.5555 12.3567 124.5673 1.0166 -0.0164 148 4 -5.9070 -5.2411 80.0275 1.0028 -0.0028 149 4 -5.2110 2.7443 105.8970 1.0192 -0.0188 150 4 -2.6027 80.4745 167.2371 1.0424 -0.0407 151 4 -2.6593 70.7417 161.6506 1.0429 -0.0411 152 4 -3.8929 24.5302 142.4184 1.0250 -0.0244 153 4 -5.2565 1.7440 111.0856 1.0209 -0.0205 154 4 -7.0563 -3.4629 78.0696 1.0169 -0.0167 155 4 -5.9070 -4.7963 78.1138 1.0025 -0.0025 156 4 -3.9563 26.7254 142.1162 1.0248 -0.0242 157 4 -4.5555 11.6760 121.2781 1.0159 -0.0157 158 4 -5.2565 2.8109 109.1848 1.0203 -0.0199 159 4 -4.5555 12.3568 124.5672 1.0166 -0.0164 160 4 -5.2565 2.8108 109.1851 1.0203 -0.0199 161 4 -4.5555 11.6761 121.2781 1.0159 -0.0157 162 4 -5.2565 3.2640 108.4110 1.0202 -0.0198 163 4 -5.9070 -4.7962 78.1140 1.0025 -0.0025 164 4 -7.0563 -3.4629 78.0696 1.0169 -0.0167 165 4 -5.2565 1.7439 111.0852 1.0209 -0.0205 166 4 -3.8929 24.5301 142.4187 1.0250 -0.0244 167 4 -2.6593 70.7420 161.6513 1.0429 -0.0411 168 4 -3.9563 26.7255 142.1165 1.0248 -0.0242 169 4 -5.2110 2.9336 106.6423 1.0191 -0.0187 170 4 -5.9070 -5.2411 80.0275 1.0028 -0.0028 171 4 -4.5555 12.3567 124.5675 1.0166 -0.0164 172 4 -2.6593 72.2662 163.8984 1.0433 -0.0415 173 4 -2.0907 96.9233 146.5435 1.0219 -0.0215 174 4 -2.6027 80.4745 167.2391 1.0424 -0.0407 175 4 -2.6027 80.5256 170.8270 1.0439 -0.0420 176 4 -3.9563 26.6265 143.1490 1.0250 -0.0244 177 4 -5.2565 1.7439 111.0853 1.0209 -0.0205 178 4 -3.9563 26.6265 143.1495 1.0250 -0.0244 179 4 -2.6027 80.5252 170.8271 1.0439 -0.0420 180 4 -0.9512 116.8900 86.6184 1.0048 -0.0048 181 4 -0.4527 133.6017 76.8399 1.0021 -0.0021 182 4 -0.9512 116.8897 86.6177 1.0048 -0.0048 183 4 -2.6593 72.2661 163.8978 1.0433 -0.0415 184 4 -3.8929 24.5300 142.4180 1.0250 -0.0244 185 4 -2.6027 80.4744 167.2372 1.0424 -0.0407 186 4 -1.5590 114.1497 113.0855 1.0056 -0.0056 187 4 -0.9512 114.5039 85.8358 1.0053 -0.0053 188 4 -2.6027 80.4743 167.2369 1.0424 -0.0407 189 4 -3.9563 26.6268 143.1491 1.0250 -0.0244 190 4 -5.2565 2.8107 109.1849 1.0203 -0.0199 191 4 -3.9563 26.7255 142.1157 1.0248 -0.0242 192 4 -2.6027 80.2301 166.7214 1.0423 -0.0405 193 4 -2.6593 70.8414 161.3850 1.0429 -0.0411 194 4 -3.9563 26.7255 142.1160 1.0248 -0.0242 195 4 -5.9070 -5.2410 80.0277 1.0028 -0.0028 196 4 -7.0563 -3.4629 78.0699 1.0169 -0.0167 197 4 -5.2565 3.2640 108.4111 1.0202 -0.0198 198 4 -3.8929 24.4089 139.5058 1.0246 -0.0240 199 4 -3.8929 24.4095 139.5059 1.0246 -0.0240 200 4 -5.2565 3.2640 108.4114 1.0202 -0.0198 201 4 -7.0563 -3.4628 78.0696 1.0169 -0.0167 202 4 -5.9070 -5.2413 80.0281 1.0028 -0.0028 203 4 -3.9563 26.7257 142.1172 1.0248 -0.0242 204 4 -2.6593 70.8415 161.3855 1.0429 -0.0411 205 4 -2.6027 80.2301 166.7220 1.0423 -0.0405 206 4 -3.9563 26.7257 142.1171 1.0248 -0.0242 207 4 -5.2565 2.8108 109.1850 1.0203 -0.0199 208 4 -3.9563 26.6266 143.1494 1.0250 -0.0244 209 4 -2.6027 80.4746 167.2382 1.0424 -0.0407 210 4 -0.9512 114.5041 85.8361 1.0053 -0.0053 211 4 -1.5590 113.8885 112.4804 1.0055 -0.0055 212 4 -2.6027 80.4746 167.2378 1.0424 -0.0407 213 4 -3.8929 24.5299 142.4182 1.0250 -0.0244 214 4 -2.6593 72.2661 163.8985 1.0433 -0.0415 215 4 -0.9512 116.8898 86.6177 1.0048 -0.0048 216 4 -0.4527 133.5768 76.7761 1.0021 -0.0021 Unfolding on the coarse grid elphon_wrap : 22.85s CPU 22.98s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.03s CPU 0.03s WALL ( 29 calls) init_us_1 : 0.78s CPU 0.78s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 2.74s CPU 2.78s WALL ( 1 calls) ep-interp : 2.54s CPU 2.56s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.00s CPU 0.00s WALL ( 162 calls) ep: step 2 : 0.02s CPU 0.02s WALL ( 162 calls) DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) HamW2B : 0.39s CPU 0.39s WALL ( 23436 calls) ephW2Bp : 0.25s CPU 0.25s WALL ( 216 calls) Total program execution EPW : 28.40s CPU 28.57s WALL