Program PWCOND v.6.0 (svn rev. 13317) starts on 18Feb2017 at 20:15:39 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 Parallel version (MPI), running on 1 processors Reading data from directory: /scratch/scitas/nvarini/espresso_trunk_svn/tempdir/al.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 G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 137 137 45 1675 1675 343 ===== INPUT FILE containing the left lead ===== GEOMETRY: lattice parameter (alat) = 5.3000 a.u. the volume = 210.5121 (a.u.)^3 the cross section = 28.0900 (a.u.)^2 l of the unit cell = 1.4140 (alat) number of atoms/cell = 2 number of atomic types = 1 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( 0.0000 1.0000 0.0000 ) a(3) = ( 0.0000 0.0000 1.4140 ) Cartesian axes site n. atom positions (alat units) 1 Al tau( 1)=( 0.0000 0.0000 1.4140 ) 2 Al tau( 2)=( 0.5000 0.5000 0.7070 ) nr1s = 15 nr2s = 15 nr3s = 20 nr1sx = 15 nr2sx = 15 nr3sx = 20 nr1 = 15 nr2 = 15 nr3 = 20 nr1x = 15 nr2x = 15 nr3x = 20 _______________________________ Radii of nonlocal spheres: type ibeta ang. mom. radius (alat units) Al 1 0 0.5116 Al 2 1 0.5798 ----- General information ----- ----- Complex band structure calculation ----- nrx = 15 nry = 15 nz1 = 11 energy0 = 1.0E+01 denergy = -4.0E-01 nenergy = 60 ecut2d = 1.5E+01 ewind = 1.0E+00 epsproj = 1.0E-03 number of k_|| points= 1 cryst. coord. k( 1) = ( 0.0000000 0.0000000), wk = 1.0000000 ----- Information about left lead ----- nocros = 4 noins = 4 norb = 12 norbf = 12 nrz = 20 iorb type ibeta ang. mom. m position (alat) 1 1 1 0 1 taunew( 1)=( 0.0000 0.0000 0.0000) 2 1 2 1 1 taunew( 2)=( 0.0000 0.0000 0.0000) 3 1 2 1 2 taunew( 3)=( 0.0000 0.0000 0.0000) 4 1 2 1 3 taunew( 4)=( 0.0000 0.0000 0.0000) 5 1 1 0 1 taunew( 5)=( 0.5000 0.5000 0.7070) 6 1 2 1 1 taunew( 6)=( 0.5000 0.5000 0.7070) 7 1 2 1 2 taunew( 7)=( 0.5000 0.5000 0.7070) 8 1 2 1 3 taunew( 8)=( 0.5000 0.5000 0.7070) 9 1 1 0 1 taunew( 9)=( 0.0000 0.0000 1.4140) 10 1 2 1 1 taunew( 10)=( 0.0000 0.0000 1.4140) 11 1 2 1 2 taunew( 11)=( 0.0000 0.0000 1.4140) 12 1 2 1 3 taunew( 12)=( 0.0000 0.0000 1.4140) k slab z(k) z(k+1) crossing(iorb=1,norb) 1 0.0000 0.0707 0.0707 111100000000 2 0.0707 0.1414 0.0707 111101110000 3 0.1414 0.2121 0.0707 111111110000 4 0.2121 0.2828 0.0707 111111110000 5 0.2828 0.3535 0.0707 111111110000 6 0.3535 0.4242 0.0707 111111110000 7 0.4242 0.4949 0.0707 111111110000 8 0.4949 0.5656 0.0707 111111110000 9 0.5656 0.6363 0.0707 011111110000 10 0.6363 0.7070 0.0707 000011110000 11 0.7070 0.7777 0.0707 000011110000 12 0.7777 0.8484 0.0707 000011110111 13 0.8484 0.9191 0.0707 000011111111 14 0.9191 0.9898 0.0707 000011111111 15 0.9898 1.0605 0.0707 000011111111 16 1.0605 1.1312 0.0707 000011111111 17 1.1312 1.2019 0.0707 000011111111 18 1.2019 1.2726 0.0707 000011111111 19 1.2726 1.3433 0.0707 000001111111 20 1.3433 1.4140 0.0707 000000001111 ngper, shell number = 37 8 ngper, n2d = 37 26 --- E-Ef = 10.0000000 k = 0.0000000 0.0000000 --- ie = 1 ik = 1 Nchannels of the left tip = 5 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0958261 0.0000000 10.0000000 -0.3028567 -0.0000000 10.0000000 -0.3028567 -0.0000000 10.0000000 -0.3122757 -0.0000000 10.0000000 -0.4563903 0.0000000 10.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0958261 0.0000000 10.0000000 0.3028567 -0.0000000 10.0000000 0.3028567 -0.0000000 10.0000000 0.3122757 -0.0000000 10.0000000 0.4563903 -0.0000000 10.0000000 --- E-Ef = 9.6000000 k = 0.0000000 0.0000000 --- ie = 2 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3410713 -0.0000000 9.6000000 -0.3410713 -0.0000000 9.6000000 -0.3457791 -0.0000000 9.6000000 -0.4721899 0.0000000 9.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3410713 -0.0000000 9.6000000 0.3410713 -0.0000000 9.6000000 0.3457791 -0.0000000 9.6000000 0.4721899 -0.0000000 9.6000000 --- E-Ef = 9.2000000 k = 0.0000000 0.0000000 --- ie = 3 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3807575 -0.0000000 9.2000000 -0.3816061 -0.0000000 9.2000000 -0.3816061 -0.0000000 9.2000000 -0.4881185 0.0000000 9.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3807575 -0.0000000 9.2000000 0.3816061 -0.0000000 9.2000000 0.3816061 -0.0000000 9.2000000 0.4881185 -0.0000000 9.2000000 --- E-Ef = 8.8000000 k = 0.0000000 0.0000000 --- ie = 4 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4175493 -0.0000000 8.8000000 -0.4249860 -0.0000000 8.8000000 -0.4249860 -0.0000000 8.8000000 0.4958271 0.0000000 8.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4175493 -0.0000000 8.8000000 0.4249860 -0.0000000 8.8000000 0.4249860 -0.0000000 8.8000000 -0.4958271 -0.0000000 8.8000000 --- E-Ef = 8.4000000 k = 0.0000000 0.0000000 --- ie = 5 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4565803 -0.0000000 8.4000000 -0.4719432 0.0000000 8.4000000 -0.4719432 0.0000000 8.4000000 0.4796214 0.0000000 8.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4565803 -0.0000000 8.4000000 0.4719432 -0.0000000 8.4000000 0.4719432 -0.0000000 8.4000000 -0.4796214 -0.0000000 8.4000000 --- E-Ef = 8.0000000 k = 0.0000000 0.0000000 --- ie = 6 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4632737 0.0000000 8.0000000 0.4764620 0.0000000 8.0000000 0.4764620 0.0000000 8.0000000 -0.4984204 -0.0000000 8.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4632737 -0.0000000 8.0000000 -0.4764620 -0.0000000 8.0000000 -0.4764620 -0.0000000 8.0000000 0.4984204 -0.0000000 8.0000000 --- E-Ef = 7.6000000 k = 0.0000000 0.0000000 --- ie = 7 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4184446 0.0000000 7.6000000 0.4184446 0.0000000 7.6000000 0.4467745 0.0000000 7.6000000 0.4561190 0.0000000 7.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4184446 0.0000000 7.6000000 -0.4184446 0.0000000 7.6000000 -0.4467745 -0.0000000 7.6000000 -0.4561190 -0.0000000 7.6000000 --- E-Ef = 7.2000000 k = 0.0000000 0.0000000 --- ie = 8 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3508403 0.0000000 7.2000000 0.3508403 0.0000000 7.2000000 0.4057860 0.0000000 7.2000000 0.4301174 0.0000000 7.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3508403 0.0000000 7.2000000 -0.3508403 0.0000000 7.2000000 -0.4057860 -0.0000000 7.2000000 -0.4301174 0.0000000 7.2000000 --- E-Ef = 6.8000000 k = 0.0000000 0.0000000 --- ie = 9 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2664081 0.0000000 6.8000000 0.2664081 0.0000000 6.8000000 0.3484434 0.0000000 6.8000000 0.4132960 0.0000000 6.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2664081 0.0000000 6.8000000 -0.2664081 0.0000000 6.8000000 -0.3484434 0.0000000 6.8000000 -0.4132961 0.0000000 6.8000000 --- E-Ef = 6.4000000 k = 0.0000000 0.0000000 --- ie = 10 ik = 1 Nchannels of the left tip = 4 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1368640 0.0000000 6.4000000 0.1368640 0.0000000 6.4000000 0.2797810 0.0000000 6.4000000 0.3963035 0.0000000 6.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1368640 0.0000000 6.4000000 -0.1368640 0.0000000 6.4000000 -0.2797810 0.0000000 6.4000000 -0.3963035 0.0000000 6.4000000 --- E-Ef = 6.0000000 k = 0.0000000 0.0000000 --- ie = 11 ik = 1 Nchannels of the left tip = 2 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1877258 0.0000000 6.0000000 0.3791326 0.0000000 6.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1877258 0.0000000 6.0000000 -0.3791327 0.0000000 6.0000000 --- E-Ef = 5.6000000 k = 0.0000000 0.0000000 --- ie = 12 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3617758 0.0000000 5.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3617758 0.0000000 5.6000000 --- E-Ef = 5.2000000 k = 0.0000000 0.0000000 --- ie = 13 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3442248 0.0000000 5.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3442249 0.0000000 5.2000000 --- E-Ef = 4.8000000 k = 0.0000000 0.0000000 --- ie = 14 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3264708 0.0000000 4.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3264708 0.0000000 4.8000000 --- E-Ef = 4.4000000 k = 0.0000000 0.0000000 --- ie = 15 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3085039 0.0000000 4.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3085039 0.0000000 4.4000000 --- E-Ef = 4.0000000 k = 0.0000000 0.0000000 --- ie = 16 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2903133 0.0000000 4.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2903133 0.0000000 4.0000000 --- E-Ef = 3.6000000 k = 0.0000000 0.0000000 --- ie = 17 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2718867 0.0000000 3.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2718867 0.0000000 3.6000000 --- E-Ef = 3.2000000 k = 0.0000000 0.0000000 --- ie = 18 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2532102 0.0000000 3.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2532102 0.0000000 3.2000000 --- E-Ef = 2.8000000 k = 0.0000000 0.0000000 --- ie = 19 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2342673 0.0000000 2.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2342673 0.0000000 2.8000000 --- E-Ef = 2.4000000 k = 0.0000000 0.0000000 --- ie = 20 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2150381 0.0000000 2.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2150381 0.0000000 2.4000000 --- E-Ef = 2.0000000 k = 0.0000000 0.0000000 --- ie = 21 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1954980 0.0000000 2.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1954980 0.0000000 2.0000000 --- E-Ef = 1.6000000 k = 0.0000000 0.0000000 --- ie = 22 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1756143 0.0000000 1.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1756143 0.0000000 1.6000000 --- E-Ef = 1.2000000 k = 0.0000000 0.0000000 --- ie = 23 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1553424 0.0000000 1.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1553424 0.0000000 1.2000000 --- E-Ef = 0.8000000 k = 0.0000000 0.0000000 --- ie = 24 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1346150 0.0000000 0.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1346150 0.0000000 0.8000000 --- E-Ef = 0.4000000 k = 0.0000000 0.0000000 --- ie = 25 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1133217 0.0000000 0.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1133217 0.0000000 0.4000000 --- E-Ef = 0.0000000 k = 0.0000000 0.0000000 --- ie = 26 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0912544 0.0000000 0.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0912544 0.0000000 0.0000000 --- E-Ef = -0.4000000 k = 0.0000000 0.0000000 --- ie = 27 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0679354 0.0000000 -0.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0679354 0.0000000 -0.4000000 --- E-Ef = -0.8000000 k = 0.0000000 0.0000000 --- ie = 28 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0417873 0.0000000 -0.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0417873 0.0000000 -0.8000000 --- E-Ef = -1.2000000 k = 0.0000000 0.0000000 --- ie = 29 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -1.6000000 k = 0.0000000 0.0000000 --- ie = 30 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -2.0000000 k = 0.0000000 0.0000000 --- ie = 31 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -2.4000000 k = 0.0000000 0.0000000 --- ie = 32 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -2.8000000 k = 0.0000000 0.0000000 --- ie = 33 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0422663 0.0000000 -2.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0422663 -0.0000000 -2.8000000 --- E-Ef = -3.2000000 k = 0.0000000 0.0000000 --- ie = 34 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0714176 -0.0000000 -3.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0714176 -0.0000000 -3.2000000 --- E-Ef = -3.6000000 k = 0.0000000 0.0000000 --- ie = 35 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.0984641 -0.0000000 -3.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.0984641 -0.0000000 -3.6000000 --- E-Ef = -4.0000000 k = 0.0000000 0.0000000 --- ie = 36 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1251705 -0.0000000 -4.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1251705 -0.0000000 -4.0000000 --- E-Ef = -4.4000000 k = 0.0000000 0.0000000 --- ie = 37 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1520825 -0.0000000 -4.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1520825 -0.0000000 -4.4000000 --- E-Ef = -4.8000000 k = 0.0000000 0.0000000 --- ie = 38 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1794650 -0.0000000 -4.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1794650 -0.0000000 -4.8000000 --- E-Ef = -5.2000000 k = 0.0000000 0.0000000 --- ie = 39 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2074915 -0.0000000 -5.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2074915 -0.0000000 -5.2000000 --- E-Ef = -5.6000000 k = 0.0000000 0.0000000 --- ie = 40 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2363041 -0.0000000 -5.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2363041 -0.0000000 -5.6000000 --- E-Ef = -6.0000000 k = 0.0000000 0.0000000 --- ie = 41 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2660398 -0.0000000 -6.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2660398 -0.0000000 -6.0000000 --- E-Ef = -6.4000000 k = 0.0000000 0.0000000 --- ie = 42 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2968448 -0.0000000 -6.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2968448 -0.0000000 -6.4000000 --- E-Ef = -6.8000000 k = 0.0000000 0.0000000 --- ie = 43 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3288864 -0.0000000 -6.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3288865 -0.0000000 -6.8000000 --- E-Ef = -7.2000000 k = 0.0000000 0.0000000 --- ie = 44 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3623658 0.0000000 -7.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3623658 -0.0000000 -7.2000000 --- E-Ef = -7.6000000 k = 0.0000000 0.0000000 --- ie = 45 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3975332 0.0000000 -7.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3975332 -0.0000000 -7.6000000 --- E-Ef = -8.0000000 k = 0.0000000 0.0000000 --- ie = 46 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4347126 0.0000000 -8.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4347126 -0.0000000 -8.0000000 --- E-Ef = -8.4000000 k = 0.0000000 0.0000000 --- ie = 47 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4743430 0.0000000 -8.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4743430 -0.0000000 -8.4000000 --- E-Ef = -8.8000000 k = 0.0000000 0.0000000 --- ie = 48 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4830273 0.0000000 -8.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4830273 -0.0000000 -8.8000000 --- E-Ef = -9.2000000 k = 0.0000000 0.0000000 --- ie = 49 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.4363922 0.0000000 -9.2000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.4363922 -0.0000000 -9.2000000 --- E-Ef = -9.6000000 k = 0.0000000 0.0000000 --- ie = 50 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3843879 0.0000000 -9.6000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3843879 -0.0000000 -9.6000000 --- E-Ef = -10.0000000 k = 0.0000000 0.0000000 --- ie = 51 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.3244191 0.0000000 -10.0000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.3244191 0.0000000 -10.0000000 --- E-Ef = -10.4000000 k = 0.0000000 0.0000000 --- ie = 52 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.2508319 0.0000000 -10.4000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.2508319 0.0000000 -10.4000000 --- E-Ef = -10.8000000 k = 0.0000000 0.0000000 --- ie = 53 ik = 1 Nchannels of the left tip = 1 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) 0.1440808 0.0000000 -10.8000000 Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) -0.1440808 0.0000000 -10.8000000 --- E-Ef = -11.2000000 k = 0.0000000 0.0000000 --- ie = 54 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -11.6000000 k = 0.0000000 0.0000000 --- ie = 55 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -12.0000000 k = 0.0000000 0.0000000 --- ie = 56 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -12.4000000 k = 0.0000000 0.0000000 --- ie = 57 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -12.8000000 k = 0.0000000 0.0000000 --- ie = 58 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -13.2000000 k = 0.0000000 0.0000000 --- ie = 59 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) --- E-Ef = -13.6000000 k = 0.0000000 0.0000000 --- ie = 60 ik = 1 Nchannels of the left tip = 0 Right moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) Left moving states: k1(2pi/a) k2(2pi/a) E-Ef (eV) PWCOND : 1.41s CPU 1.46s WALL init : 0.20s CPU 0.21s WALL ( 1 calls) poten : 0.00s CPU 0.00s WALL ( 1 calls) local : 0.01s CPU 0.01s WALL ( 1 calls) scatter_forw : 1.02s CPU 1.05s WALL ( 60 calls) compbs : 0.15s CPU 0.16s WALL ( 60 calls) compbs_2 : 0.14s CPU 0.14s WALL ( 60 calls)