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C؀(T$D$ )D$D$$2/vErroCr: mCissiC ng oCperaCnd "ٸ ErroCr: dCivisC ion Cby zCero!fC܍.ܥ#݅ ܵErroCr: uCnbalC anceCd brCackeCts. CwErroݝCr: mCissiC ng oCperaCnd @D$D$ )D$D$$-ErroCr: uCnbalC anceCd brCackeCts. C\$$0ٹ ErroCr: dCivisC ion Cby zCero!fKL$'ErroCr: uCnbalC anceCd brCackeCts. C,~h,?;,ظ ErroCr: mCalfoC rmedC expCressCion.fCErroCr: mCissiC ng oCperaCnd w.t&UWVS<$Xe$,1$P$Tt$*\$D$ 4$0D*|$$+\$4$j+\$D$ <$v0Ƅ+|$4$b$+u(E$,e3<[^_]f$)\$P/t$D$*$(|$D$**$(ED$뒍v$)/EuD*t$*$+;z-fffffUWVS\$0D$D$$+$M1D$D$$Ǎo+,$H*tBl$D$$./\$ |$4$D$V([^_]$-D$ @*D$h*D$$.$- UWVS$e$1ҋ$D$r*$P0D$$.|$4<$l$$ 4$z)t$<$D$ l$<$ E$D$u*D$ D$D$D$r)9uƋD$$.4$*,$e3Ĝ[^_]ù Not CcompCutedC , fiCle nCame Cis eCmptyfK 럺 Not CcompCutedC , coCuldnC't oCpen CfilefS Z Not CcompCutedC , fiCle iCs emCpty C fC *fffffUWVSxD$T=*|$Dx <$x@|$D$Z,$|$\$DƉЉ#D$!t$H ȋJxjt$؉L$ ЍV!! rىȉt$LЍ7p $!! z ȉ|$=νՉ!! j ƍ+|l$Ӊ!! j)*ƇGىl$щ!! zى͉|$8F0!! jȍ.FƉl$ ։!! z Ɖ|$$;ؘi!! j$)Dىl$(щ!! z(ى͉|$,8[!! j,ȍ.\Ɖl$0։!! z0 Ɖ|$4;"k!! j4)qىl$8щ!! ى׉z8|$<8Cyl$P!!݋R< ȉlj!͉T$@!I! l$Pt$ !ōb%! t$!Ӎ@@! l$Ht$0!ٍQZ^&! ΍Ƕډ!! ЋT$ !]/։! ӋT$,!Í SD! |$@ٍ7؉Ɖ!! |$ʍ߉!! ƋD$( ֍!ˉ!! ؋\$< 7ÉӉ!! ً\$!Ǎ ! ӋT$$ˍ2ZEƉ!! t$8 ڍ㩉Ή!! |$LЍ߉!! ΋L$ ƍogӉ!! ً\$4L*É!! ڋ\$|$ ʍB911؋\$$Ѝ3q11t$0Í"am11t$<ٍ 811 D꾤11Љt$ЍK11t$ Í`K11t$,ٍp11t$8 ʍ~(11Ɖ11'l$LËD$0ԉ11ȋL$؍11ыT$( 29ى11֋T$4΍11ڋ\$@|11É11؍ eV  ȍ7D")1؋|$<t$ ȍ*C 1#ˋ|$ 19|$4 1 Y[eЋ|$  1t$ȍ 1t$,} 1]|$@ 1t$$ ٍO~o 1,ڋ|$ 1Cˋ|$8 1N|$ 1 ~SЋ|$0 15:ڋ|$D 1*ˋl$T 148Љu4$ 1Ѝ<3t$(\$T$ӆ E ]UĘ[^_]ÐL$XZ@BrBBA9uԍT$XrvD$XBD$\BD$`B D$dBD$hBD$lBD$pBD$tB D$xB$D$|B($B,$B0$B4$B8$BfffffffUW1VS#%zl$0)t'D$8,$D$D$4D$9u߃[^_] S3#óy[AVERAGEnfile is wrong average (a) wrong nptaveragereadin inputidir is wrongnpt smaller than nfftwrong file order? incompatible nr1x or nr2xincompatible nr1 or nr2 or nr3incompatible ibravincompatible gcutm or dual or ecutincompatible celldmwrong idirnmacro is too small (3f15.9)Daverage.f90itypInteger overflow when calculating the amount of memory to allocateAttempting to allocate already allocated variable '%s'At line 166 of file average.f90Allocation would exceed memory limitAt line 167 of file average.f90-DT!@Hz>@?cft.f90Array bounds exceeded within subroutine cftTDo?LXz?(-DT!@TDoLXz(-DT!-!r?~/7?~/7???stop_pp.f90deletekeepallocate_fft.f90vltotrho_corekedtaurhog_corepsicvrspsic_ncpointlistfactlistr_loc(/,4x," nr1=",i4," nr2= ", i4, " nr3=",i4, " nrxx = ",i8," ngm=",i8)the nr"s are too small!allocate_fft(/,4x," nr1s=",i4," nr2s= ", i4, " nr3s=",i4, " nrxxs = ",i8," ngms=",i8)the nrs"s are too small!wrong ngmwrong ngmswrong nnrwrong smooth nnrwrong nspinAt line 59 of file allocate_fft.f90At line 60 of file allocate_fft.f90At line 62 of file allocate_fft.f90At line 64 of file allocate_fft.f90At line 66 of file allocate_fft.f90At line 67 of file allocate_fft.f90At line 68 of file allocate_fft.f90At line 70 of file allocate_fft.f90At line 78 of file allocate_fft.f90At line 79 of file allocate_fft.f90At line 80 of file allocate_fft.f90waverhomake_pointlists.f90tau0(5x,"Generating pointlists ...")(5x,"new r_m : ",f8.4," (alat units)", f8.4, " (a.u.) for type",i5)Attempt to DEALLOCATE unallocated '%s'At line 154 of file make_pointlists.f90?:0yE>333333?Gz??Denseio_bufferAt line 400 of file scf_mod.f90At line 389 of file scf_mod.f90At line 139 of file scf_mod.f90At line 142 of file scf_mod.f90At line 148 of file scf_mod.f90At line 152 of file scf_mod.f90At line 156 of file scf_mod.f90At line 93 of file scf_mod.f90At line 94 of file scf_mod.f90At line 96 of file scf_mod.f90At line 97 of file scf_mod.f90At line 99 of file scf_mod.f90At line 100 of file scf_mod.f90At line 105 of file scf_mod.f90At line 106 of file scf_mod.f90At line 114 of file scf_mod.f90-DT!9@m0_?m0_?-DT!)@buffers.f90cursorold(2x,a,2(a,i8),(a,2i8),(a,i12))[BUIOL] unit: | recl: | nrec (idx/alloc): | memory used:You must init before find_unitfind_unitwrong new nrecincrease_nrecYou must init before find_prev_unitfind_prev_unitYou must init before openbuiol_open_unit(2x,a,3i14)[BUIOL] not even initialized(2x,106("-") )(2x,106("-"))[BUIOL] total memory used B/KB/MBENTRY was lost.stop_buiolkeepKEEPcannot store record in memoryget_buffercannot write recordsave_bufferfilename extension not givenopen_buffer cannot open unitunit already openedAt line 472 of file buffers.f90At line 278 of file buffers.f90?array gk out-of-boundsgk_sortunexpected exit from do-loop:0yE>pseudofull LDA+U not implemented with pseudo projection typeinit_lda_plus_ufull LDA+U does not support Hubbard_alpha calculationlda_plus_u_kind should be 0 or 1lda_plus_u calculation but Hubbard_l not setHubbard_l should not be > 3 wrong number of wavefunctionsoffset_atom_wfcd_spin_ldauAt line 100 of file ldaU.f90+=ϵaa?xy:Wb?w-!l?wrong offsetoffset_atom_wfcư>At line 320 of file plus_u_full.f90At line 321 of file plus_u_full.f90At line 368 of file plus_u_full.f90At line 410 of file plus_u_full.f90internal error: too many wfcsatomic_wfc_nclda_plus_u is not implemented for L > 3 ...hubbard_matrixatomic_wfcinternal error: some wfcs were lost atomic_wfc_nc_updownylmchiqskaux@AA0A@@@@-C6?@I$I@n۶mvM@%I$I@$I$IL@/b(@m@(\[@{Gz?symm_base.f90(5x,"Found symmetry operation: I + (", 3f8.4, ")",/,5x,"This is a supercell,", " fractional translations are disabled")the following symmetry operation is not satisfied checkallsymnot orthogonal operationsome of the original symmetry operations not satisfied (80("-"),/,"NOTICE: Bravais lattice has wrong number (", i2,") of symmetries - symmetries are disabled",/,80("-"))NOTICE: Symmetry group for Bravais lattice is not a group () - symmetries are disabledset_sym_bl Not a groupinverse_s(5x,"warning: symmetry operation # ",i2, " not compatible with FFT grid. ")(3i4)overlapping atomssgam_at_ifcinternal error: out-of-bound atomic indexcheck_mag_symNot a group! Trying with lower acceptance parameter...find_symStill not a group! symmetry disabledSymmetry operations form a groupinv?????????????????????????????????????LXz?LXz???LXzLXz???࿪LXz?LXz?࿪LXzLXz???LXzLXz?LXz?LXz?࿪LXzLXz?࿪LXz?LXz??h㈵>code is out of rangeis_complexWrong classes for C_1divide_class_soWrong classes for C_i, C_s or C_2Wrong classes for C_3Wrong classes for C_4wrong anglewrong sym_typeWrong classes for C_6Wrong classes for D_2Wrong classes for D_3Wrong classes for D_4unknown D_4 axis wrong sym_type for D_4Wrong classes for D_6D_6, C_2 axis not recognizeddivide_sym_soWrong classes for C_2vproblem with C_2vWrong classes for C_3vwrong operationWrong classes for C_4vWrong classes for C_6vC_6v mirror symmetry not recognizedWrong classes for C_2hWrong classes for C_3hWrong classes for C_4hWrong classes for C_6hWrong classes for D_2hD_2h too many C_2 axisD_2h too many mirrorsD_2h operation not recognizedWrong classes for D_3hWrong classes for D_4hunknown D_4h axis Wrong classes for D_6hProblem with C_2 of D_6hProblem with mirror of D_6hWrong classes for D_2dWrong classes for D_3dWrong classes for S_4Wrong classes for S_6Wrong classes for Twrong sym typeWrong classes for T_hWrong classes for T_dWrong classes for OWrong classes for O_hdivide_classcode_group not correctcode number not allowedset_irr_rap_so?@?LXz?࿪LXz?LXz࿪LXz??LXz?࿪LXz?LXz??LXz࿪LXz?LXz;f?;f?;f;f;f?;f;f;f?;f?;f@(/,5x,"the magnetic double point group is ", a11," [",a11,"]")(5x,"using the double point group ",a11)(/,5x,"double point group ",a11)(5x, "there are", i3," classes and",i3, " irreducible representations")(/,5x,"point group ",a11)(5x, "there are", i3," classes")(5x, "the character table:")(/,7x,12(a5,1x))(7x,12(a5,1x))(a5,12f6.2)(/,5x,"imaginary part")(/5x, "the symmetry operations in each class and the name of the first element:",/)(5x,2a5,12i5)(10x,a)(5x,"imaginary part")(5x,a5,12i5)problem, i,j Edivide_class_so.f90BBCpBpCC4C-DT! @:0yEcode is out of rangegroup_namesymmetry not recognizedtipo_symthe group has not identityfind_groupincompatible operationswrong number of elementstoo many inversionslaue_class problem with the matrixangle_rotproblem with sintc2 axis not recognizedwhich_c2called in the wrong caseversoriflag not allowedis_axisD_2 problem with C_2 axisis_d2 Wrong classes for C_1divide_classWrong classes for C_i, C_s or C_2Wrong classes for C_3Wrong classes for C_4wrong anglewrong sym_typeWrong classes for C_6Wrong classes for D_2Wrong classes for D_3Wrong classes for D_4unknown D_4 axis Wrong classes for D_6D_6 C_2 axis not recognizedWrong classes for C_2vproblem with C_2vWrong classes for C_3vwrong operationWrong classes for C_4vWrong classes for C_6vC_6v mirror not recognizedWrong classes for C_2hWrong classes for C_3hWrong classes for C_4hWrong classes for C_6hWrong classes for D_2hD_2h too many C_2 axisD_2h too many mirrorsD_2h operation not recognizedWrong classes for D_3hWrong classes for D_4hunknown D_4h axis Wrong classes for D_6hProblem with C_2 of D_6hProblem with mirror of D_6hWrong classes for D_2dWrong classes for D_3dWrong classes for S_4Wrong classes for S_6Wrong classes for TWrong classes for T_hWrong classes for T_dWrong classes for OWrong classes for O_hdivide_class_socode_group not correctcode number not allowedset_irr_rap?࿪LXz?࿪LXz??LXz??LXz@@code is out of rangeis_complexzero module vectorangle vectorsC?HzLXz?-q= alat has not been set cell_alat cell mass is less than 0 ! movecell (3X,'Simulation cell parameters with the new cell:')(3X,3F14.8)( 3X, 'alat = ',F14.8)( 3X, 'a1 = ',3F14.8)( 3X, 'a2 = ',3F14.8)( 3X, 'a3 = ',3F14.8)( 3X, 'b1 = ',3F14.8)( 3X, 'b2 = ',3F14.8)( 3X, 'b3 = ',3F14.8)( 3X, 'omega = ',F14.8)Isotropic expansion is only allowed for ibrav=1; i.e. for simple cubiccell_dofree unknown cell_dofree init_dofree X(%%(&(&&&h''''(0(`%(/,3X,'Simulation Cell Parameters (from input)')( 3X,'external pressure = ',f15.2,' [KBar]')(3X,'wmass (calculated) = ',f15.2,' [AU]')(3X,'wmass (read from input) = ',f15.2,' [AU]') wmass out of range cell_dyn_init(3X,'initial cell from CELL_PARAMETERS card')( 3X, 'ibrav = ',I4)( 3X, 'omega = ',F16.8)ref_alat must be set to a positive value (in A.U.) in SYSTEM namelistref_cell_base_init(3X,"Reference Cell read from REF_CELL_PARAMETERS Card")(3X,"Reference Cell alat =",F14.8,1X,"A.U.")(3X,"ref_cell_a1 = ",1X,3f14.8)(3X,"ref_cell_a2 = ",1X,3f14.8)(3X,"ref_cell_a3 = ",1X,3f14.8)(3X,"ref_cell_b1 = ",1X,3f14.8)(3X,"ref_cell_b2 = ",1X,3f14.8)(3X,"ref_cell_b3 = ",1X,3f14.8)(3X,"Reference Cell Volume",F16.8,1X,"A.U.")ibrav=0: must read cell parameterscell_base_initredundant data for cell parameterslattice parameter specified twicelattice parameter not specifiedunexpected cell_units incorrect values for cosab, cosac, cosbcdo not specify both celldm and a,b,c!inputalatangstrombohrnone2Dshape2Dxyalldefaultshapevolumexxyxyzxzyyzzܹܹ     cell_base.f90 AlXo%>@@X#t?΍{@?2xQ ?*>A`"?Q?333333?Cl?KH9UUUUUU?ĬȎ?|=E??/$?RQ?Q?Pn?Zd;?#B ; !? ףp= ?B?>UUUUUU?,5拢?qq?>g2kinAt line 69 of file gvecw.f90 singular matrix invmat error in ZGETRFinvmaterror in ZGETRIerror in DGETRFerror in DGETRIwrong unitseqopncan't open a connected unitfilename extension not given.101001000100001000001unknownerror opening diropnfilename extension not givenwrong record lengthdirectunformattedtestUNKNOWNUNFORMATTEDDELETEOLD(/,5X,"WARNING: ",A, " file was present; old file deleted")davciowrong record numbernothing to do?unit is not openederror while reading from file ""error while writing from file "io_files.f90 total mass <= 0 ions_cofmass size of dis too small displacement tempp <= 0 ions_vrescal omega <= 0 ions_thermal_stress (//,3X,'Randomization of SCALED ionic coordinates')( 3X,'Species ',I3,' atoms = ',I4)( 3X,' Old Positions New Positions')( 3X,3F10.6,2X,3F10.6) 0 number of atoms ions_temp dt <= 0 ions_vel3 wrong species index for positions sorttau some atomic species have no atomssort_atomsnax out of rangeions_base_init nsp out of rangensp too large, increase ntypx parameter inconsistent nat and na invalid rcmax tau_format = not implemented ions_base_initinvalid massalatangstrombohrcrystalions_base.f90veltau_srtvel_srtind_srtind_bckif_posiforcetauilabel_srtextforAt line 195 of file ions_base.f90At line 196 of file ions_base.f90At line 197 of file ions_base.f90At line 198 of file ions_base.f90At line 199 of file ions_base.f90At line 200 of file ions_base.f90At line 201 of file ions_base.f90At line 202 of file ions_base.f90At line 203 of file ions_base.f90At line 204 of file ions_base.f90At line 205 of file ions_base.f90At line 206 of file ions_base.f90mp.f90( "*** error in Message Passing (mp) module ***")( "*** error code: ",I5)}~{|wxyzstuvopqrklmnghij_`abcdef[\]^WXYZSTUVQOLKJIHGEFNMinvalid number of band groups, out of rangemp_start_bandsn. of band groups must be divisor of parent_nproc error in mpi_barrier mp_synchronize  error in mpi_bcast 1 bcast_real error in mpi_bcast 2 error in mpi_bcast 3  bcast_integer  bcast_logical error in mpi_comm_sizereduce_base_realerror in mpi_comm_rankerror in mpi_reduce 1error in mpi_allreduce 1error in mpi_reduce 2error in mpi_allreduce 2reduce_base_integerreduce_base_real_toreduce_base_integer_toparallel_min_integerparallel_max_integerparallel_min_realparallel_max_realinvalid number of images, out of rangemp_start_imagesn. of images must be divisor of nprocinvalid number of pools, out of rangemp_start_poolsinvalid number of pools, parent_nproc /= nproc_pool * npoolB@Aj out of rangerandyaU&>At line 105 of file recvec.f90At line 106 of file recvec.f90At line 107 of file recvec.f90At line 108 of file recvec.f90At line 109 of file recvec.f90At line 110 of file recvec.f90At line 111 of file recvec.f90At line 196 of file recvec.f90At line 197 of file recvec.f90ggmillnlnlmig_l2gigtonglnlsnlsmlli not allowedaainitnlx is too small ap leading dimension is too smallmx dimension too smallMbP?xc_vdW_DF.f90c_rhoc_grhokernel_of_kd2y_dx2grad_rhototal_rhoq0dq0_drhodq0_dgradrhothetaspotential_uppotential_downgrad_rho_upgrad_rho_downpotential(/)(5x,"%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%")(5x,"% %")(5x,"% You are using vdW-DF, which was implemented by the Thonhauser group. %")(5x,"% Please cite the following two papers that made this development %")(5x,"% possible and the two reviews that describe the various versions: %")(5x,"% T. Thonhauser et al., PRL 115, 136402 (2015). %")(5x,"% T. Thonhauser et al., PRB 76, 125112 (2007). %")(5x,"% K. Berland et al., Rep. Prog. Phys. 78, 066501 (2015). %")(5x,"% D.C. Langreth et al., J. Phys.: Condens. Matter 21, 084203 (2009). %")(5x,"% If you are calculating the stress with vdW-DF, please also cite: %")(5x,"% R. Sabatini et al., J. Phys.: Condens. Matter 24, 424209 (2012). %")(5x,"Carrying out vdW-DF run using the following parameters:")(5X,A,I3,A,I5,A,F8.3)Nqs = Npoints = r_max = (5X,"q_mesh =",4F12.8)(13X,4F12.8)Denseqhi == qlowget_potential(A,F10.5,A,F10.5)k = k_max = k value requested is out of rangeinterpolate kernelspin polarized vdW stress not implementedstress_vdW_DF stress_vdW_gradientE^nl_c not implementedxc_vdW_DF(/ / A) -----------------------------------------------(A, F15.8, A) Non-local corr. energy = Ry(A /)At line 1225 of file xc_vdW_DF.f90At line 1969 of file xc_vdW_DF.f90At line 1064 of file xc_vdW_DF.f90At line 2039 of file xc_vdW_DF.f90At line 1759 of file xc_vdW_DF.f90At line 1614 of file xc_vdW_DF.f90At line 553 of file xc_vdW_DF.f90At line 554 of file xc_vdW_DF.f90At line 555 of file xc_vdW_DF.f90At line 355 of file xc_vdW_DF.f90@a+x&1?V-?GzT1@w/??V- @GzTQ@K?h.ۛ=@@@es-8R@-a==n=e?pAAt line 1059 of file xc_rVV10.f90At line 1119 of file xc_rVV10.f90At line 478 of file xc_rVV10.f90At line 324 of file xc_rVV10.f90At line 1194 of file xc_rVV10.f90At line 1323 of file xc_rVV10.f90At line 221 of file xc_rVV10.f90Dense(A,F10.5,A,F10.5)k = k_max = k value requested is out of rangeinterpolate kernelvdW functional not implemented for nspin > 2xc_vdW_DFrVV10_ffts qhi == qlowstress_vdW_gradientrVV10(/ /A )---------------------------------------------------------------------------------(A)Carrying out rVV10 run using the following parameters:(A,I6,A,I6,A,F8.3)Nqs = Nr_points = r_max = (A, F8.5, A, F8.5 )b_value = beta = (5X,"q_mesh =",4F12.8)(13X,4F12.8)(/ A )Gradients computed in Reciprocal space(/ A / /)rVV10_energy(/ / A /) ----------------------------------------------------------------(A, F22.15 /) Non-local correlation energy = (A /)rVV10_vget_potentialxc_rVV10.f90gradient_rho_=@?=UUUUUU?̾:F<@-DT!I@es-8R0@GmD@!}@abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZAGz?+:t;K@)Ͱ5@pʥ_Un@Tusd*.@eύV@zOj@w>ږb=?n ?:JxT?e(Jh?)o?-F?s|?R)l?mBP ?ܽZ^W ?ͨ'@ÔE@`9c@@`"5u@q>|@^"Yr@)@t@S@N]Yq@j@gX/@~@+i"Yr@;f?find_free_unit.f90free unit not found ?!?find_free_unit()ZӼ?Zd;O?ZӼ?|?5^?Q?|?5^? W? W?X <ݚ?|?5^?Q?|?5^?|?5^? W? W?X <ݚ?X <ݚ?)\(?St$? h"l??DXo?+eX?St$?St$?-C6¿ӆ-!lV?Q5U?U?}͍ ?M(D!Mb`?a)q?~jt᧿U؟?̰Q֟?ݓZ??6T?Z?K46?*ݿA4DEG0H|]J@ELgMfO`A@ABB@AXB@B/DAA?BCA= BCCCsCCC$tI?BAHC`B W?|?5^?w/?(;L4BuwsBuwBjﴑ[?V瞯<@myE翳U?ymK@ymK?pY?!%&?*?8IҹS?ơ?pY?!%&?*?Fx?Ik?=@6Q𹸲?Tㄍ}?#O,B?{Gz?Z`ݿHQ? cv#O,B @5@ cv׿s ?74 񙪿8A0wdijs9?!3|@!3|"@s9:@jﴑ[?3$8ߒda=?n2ٵ?3$8¿n2?74 ?74 ?#O,B?0L F%@XVn?M#%@W2@qqCH`@0n5& @GS@#O,B0@Ɉ:f@}MP@ƛK@j<8p@V(nAV(nĀK?̄K?#O,B?\">4wc@|f0?|f0?#O,B@}M?>/&43{.@3m8!#O,B@@'Ǚ?}M@j<8?l!IZ@@!9yPS@I-r@4_4?4wc(@9yP3@0n5&*@_k߀@}M@@j<8@@`,YhNfTCǤ@ @@R@$@0@"@9@@@@T@Ȇ@ @RAE2@nk K%!@UUUUUUXE?UUUUUU@?mBP ?a$?ݓZ?6T?H.a@l g @K46?Sp@@̰Q֯?猨@ʔ6?̰Q֟?t_@+@AQ@t_@+@ᵭ@Bfj?l)q4?43?_Cp\M?ptk? ?je/(\?ڧ?To l`bwh5ׁs?5tX?R@FI?0ҋa%?V`䛿j?5*p ?_Cp\M?pj? ǟ(\?z{ժ?bwhTo l`?;(&15tX?=pߴ*c?a%?0ҋ?H봿P? @p= ף?·g ? >r?ᵭ?Z# @?m2{?#-R\?0?eI!r?ƒ_,ł?:M ?X9v?9#J@"~?UUUUUU?(3ˋ9?H.a@ Rݿ^cf Gd Rc1 @?n?/$?ŏ1w- R ŏ1w-`9?U؟?~jt?Mb`?> Y¿4ۃ`?/$J@ȗPH@!?ITA?F? <.?p= #)@Bf!@ڒUn2?V-?㥛 ? ףp= ?&@镲 ?y&1|?鿸Q~?K^?Qn?Ⱥv?r(? o_Ι?J4q?~I~é?O*lu?UUUUUUU?vOjM?V-r!@h|?5?_^}t?x*O[?hiw?{cJ?>h|?5?@_?UUUUUUտK46?tV?@Kz?f*ij~?/L F?f*ij~??ZnSߴ?oBP ? ףp= ?;Z+)3?LO?=n=e @A?# <ݚ?`D?A?J4?);s?9Hu?-!lV?ZӼ?Zd;O?c{-1ڿKqN`:ͿޅB?ro9?Gۈ@/$*@:#J{4@j+? h"\E@EdY@-!l&@֎=֟?֎=֏?+lAJn/2@5(,A@ RS8o?rp>¿eSjſM4< "ߺԿſF}sB@{@Nx@C~@j @=@7?;pΈ)@t2@M*@֎=֟?֎=֏?+lAJY-vc? ]Gm@Zh1S?fꟿQE¿6cU";e> Y?g@8 l^??ܵ?M O4 ?TG?cpeP?BC@rbݶ?r(?ɌN~?yEy&1?yE^~g@8 l?TG??ܵ?TG?spin not implementedggapwunknown exch-corr functionaldftnameY.?98?=hі?V?Q @:?z@P[? :iG?</@"GT?V?@_?֎=֯?\J?xOUUUU?ЯR拢?;V6?l g@猨@6T?;{*z?Ciq(@n{2$@d@֎=֏?|n?Q@rrCQ @|'f?\J?=UUUU?^Կ@vN?^I +>@=UUUU?jJ2?jJ2?D<֟?h.ۛ=@W [?YID+@ԂhԿ@Ly?]€?Ȏ#D)N2yCxDlD2gp:W: <.?UUUUUU @%NhZL?vȽ?)PE$?lB@5WgW&?gà?(Sl?"^'?Ƥr?:@:D?p*@$K?IE4q?l(?y|? R?ʂhԿ@H\&bN@4/E.@A5%?i.?ĬȎ޿I&@98?98@qq?UUUUUU?98?UUUUUU?gU*@98?Ϳ/;B@qq?fNX@?@E?vNÿJ?&6D@,{l?dC[@i@Uد?~jt?> YkU?35f@ hjojS@e-)a+ei?gUH?A>D?Q,?VzNzI@_52=Q??ο/;"@$vTu?+hޚ >?B=,pt0Uo? ?Zx?6~;?q-7#z-|MŤf?NV WD{3u*?jmؾh?܍ P?]=ӽMm+,T?V &oa=?R"O?o.ff?+;-wnR?9r?$6OH?V6}?Mb|w?xV?G~O?~_?IVf5%@Q>@[wT/7( ^L&5@A@*gz":=?2ss?ϨH{L:㾟ܑ!?T/(ۗ^? h.ۛM@E󿫪@oϷF=$#@A?Gz@ףp= ?(\?Q+@ףp= ?ffffff@ffffff@ @{Gz?qϷF=$C@I@??yt? ףp= ?-GWi? 㜏u?T?16?Q ?/? 㜏u??-GWi?R1?yt @16?filename missingplot_io iflag==0 not allowed, use read_io_header (5x,"Writing data to file ",a)unknownformatted(5x,"Reading data from file ",a)oldopening file (a)(8i8)(i6,2x,6f16.8)(3f20.10,i6)(i4,3x,a2,3x,f5.2)(i4,3x,3f15.9,3x,i2)(5(1pe17.9))read_io_h(5x,"Reading header from file ",a)plot_io.f90set_hubbard_l.f90(/,"psd = ",A,/)pseudopotential not yet insertedset_hubbard_l0: : 9 : : 9 : : 9 9 9 : : : 9 9 9 9 : 9 : 9  : : : 9 : : 9 9 9 : : : : 9 : 9 9 : : 9 : 9 9 : 9 : : : 9 : 9 : 9 : 9 9 : : 9 : : AgAmAsAuBkCCdCeCfCmCoCrCuDyErEsEuFeFmGaGdHHfHgHoInIrLrLuMdMnMoNNbNdNiNoNpOOsPaPdPmPrPtPuReRhRuSmTaTbTcThTiTmUVWYbZnZr``bbddffhhjjkkmmoo qq ss uu ww yy{{}} !"#$%&'()*+,-./0123456789:;<=>date_and_tim.f90(i2,a3,i4)(i2,":",i2,":",i2)l > 25 or wrong number of Ylm required ylmrcostAt line 52 of file ylmr2.f90sentphiAt line 145 of file ylmr2.f90mBP ?& .>& .-DT!?-DT!;f?command_line_options.f90 unexpected argument # :get_command_lineV @` @` @` @` p] p] p] p] 0\ 0\ Z Z Z Y 0\ Y Y Z 0\ 0\ pX pX pX -i-in-inp-input-nb-nband-nband_group-nbgrp-nd-ndiag-ni-nimage-nimages-nk-northo-npool-npools-npot-nproc_diag-nproc_ortho-nt-ntask_groups-ntgH H J J M M Q Q W W Z Z `  `  l l r r  u u  { {  ~ ~                          kernel_table.f90q_meshkerneld2phi_dk2/ESPRESSO_ROOT file not foundread_kernel_tableoldformattedread(2i5)At line 196 of file kernel_table.f90At line 197 of file kernel_table.f90S wrong root task in ortho group init_ortho_group R wrong task coordinates in ortho group wrong rank assignment in ortho group all_endiexx_istartiexx_iendband_rootscontributed_bandsnibandsAt line 168 of file mp_exx.f90At line 169 of file mp_exx.f90At line 172 of file mp_exx.f90At line 173 of file mp_exx.f90At line 174 of file mp_exx.f90At line 252 of file mp_exx.f90At line 253 of file mp_exx.f90At line 254 of file mp_exx.f90At line 255 of file mp_exx.f90At line 260 of file mp_exx.f90At line 261 of file mp_exx.f90At line 262 of file mp_exx.f90At line 263 of file mp_exx.f90invalid number of band groups, out of rangemp_start_bandsn. of band groups must be divisor of parent_nprocbad argumentsexpintcontinued fraction failedseries failed-q}ox?the number of task groups should be a divisor of the number of MPI tasktask_groups_init_firstthe number of task groups should be less than the number of MPI task creating ogrp_comm task_groups_init_first ogrp_comm size  creating pgrp_comm pgrp_comm size inconsistent nnr task_groups_init inconsistent dtgs%tg_nnr At line 220 of file task_groups.f90At line 221 of file task_groups.f90At line 126 of file task_groups.f90At line 127 of file task_groups.f90At line 151 of file task_groups.f90At line 152 of file task_groups.f90At line 153 of file task_groups.f90At line 154 of file task_groups.f90At line 155 of file task_groups.f90dtgsDensefftSmoothfftsWavefftwCustomfftcCustomWavefftcw unknown grid:  invfft howmany not yet implemented for parallel driver  fwfft fftb wrong dimensions: ny /= ldy cfft3ds howmany different from 1, not yet implemented for FFTW3 @ nx is less than 1 cfft3d ny is less than 1 nz is less than 1 not implementedcfft3 wrong dimension for arg no. 8 cft_2xy  nsl out of range fft_scalar: cft_1z  first index out of range put_f_of_G second index out of range  third index out of range get_f_of_G put_f_of_R get_f_of_R tg_v too small tg_gather v too small MPI_Allgatherv tg_cgather inconsistent size unpack_group_sticksALLTOALL alltoall error 2 pack_group_sticks alltoall error 1 task groups on large mesh not implemented tg_cft3s At line 189 of file fft_parallel.f90At line 192 of file fft_parallel.f90yfAt line 93 of file stick_base.f90At line 94 of file stick_base.f90At line 95 of file stick_base.f90At line 96 of file stick_base.f90At line 121 of file stick_base.f90At line 122 of file stick_base.f90At line 123 of file stick_base.f90At line 124 of file stick_base.f90At line 125 of file stick_base.f90At line 126 of file stick_base.f90At line 127 of file stick_base.f90 non contiguous indexes 1 sticks_sort non contiguous indexes 2  sticks map, not allocated get_sticks  too many sticks sticks_map_index indmap already allocated sticks_map_allocate stown already allocated idx already allocated ist already allocated changing gamma symmetry not allowed changing communicator not allowed smapforward transform not implementedcft_b_ompplan not initializeddimensions are inconsistent with the existing plannot implementedcft_bfft_error.f90(I6)(/,1X,78("%"))(5X,"Error in routine ",A," (",A,"):")(5X,A)(1X,78("%"),/)(" stopping ...")FFTW-1.2%dfftw_malloc: out of memory BUG in fftw_destroy_twiddle plan: (cost = %e) %*sFFTW_NOTW %d %*sFFTW_TWIDDLE %d %*sFFTW_GENERIC %d BUG in executor: illegal plan Unexpected output string length!Illegal attempt to perform in-place FFT! MEMORY LEAK!!! node=%d plan=%d twiddle=%d *** CREATE_PLAN: warning empty plan *** *** DESTROY_PLAN: warning empty plan *** *** CREATE_PLAN_2D: warning empty plan *** *** DESTROY_PLAN_2D: warning empty plan *** *** CREATE_PLAN_3D: warning empty plan *** *** input was (n,m,l,dir): %d %d %d %d *** *** DESTROY_PLAN_3D: warning empty plan *** P/7?w?TDo?^Zu#?d?(?WP͛*?Xw?Dd_7? XL?,?B8?(:/?v?LXz?@U?-?>}۾?=? .?]6ر?|gB?äBU?igfE?G.?/LM8?K??q\˩?E{?Ku?iX2?qM?;f?F2k?c}?\ϗb? i0cscatter_sym_manycgathercgather_sym_manycgather_sym f_out too small scatter_grid scatter_grid f_in too small gather_grid gather_grid isgn .ne. 2 not implemented maps_sticks_to_3d fft_scatter what ?!? allowed fft order too large good_fft_order  distools.f90 ** ldim_block: arg no. 3 out of range ** ldim_cyclic: arg no. 3 out of range = check_writable_dir fail: file '%s' exists but is NOT a directory check_writable_dir fail: insufficient permissions to access '%s' mkdir fail: [%d] %s Error: operators stack is full, cannot add more elements %c Error: values stack is full: cannot add more elements %g [eval_infix.c] expression longer than 256 characters[eval_infix.c] A parsing error occurredError: unknown operator: %c Error: invalid token: %s helper string: %s error code: %s md5_from_file: virtual memory exhaustedfatal: %srb%02x;`Lu|\~\Hܷd\,<T  \X| $l\,L,>_4->L-Ah-F-F-\G-|L .N4.RP.Tt.lH/,/|/0|80\t0000<11L11@2p2L2L 3d3x3,33, 3 4\ (4l4444$585 x5\555"6\)`636|:7:7 =7\?7@$8A8B8D8D8LH9lIX9\>?L\?\?\?@@@4A,AALB @BxBB\BlCC0CDCXCpCC CLC\ClC|CDD0DDD\hDl|D DDDD|E\,EPE:ETFDFHFlP4GWGZG\HaLHbH,dHgLlLDlHlN0mstmmܣmmlm,n\Pn,tn nno8o\Loooop@p Tpȡ?$lAD\E(,GHLLlPR\X]hh4,jjЧ|k \lHmno v`vxܩ AA AAA S AA AAA  AA AAA \OAF AAC$N AA AAE P AA AAA v AA AAA  AA AAA pTOAC0IAV,̫AA C`  AAA 8<AA AAC@AA AAIS0u,,C0((H,AA C( AA<tаAA AAF~AA AA aAA AAK AA AAF . AA AAF  AA AAE F AA AAF $<ACE AF dAA ATAA AACh AA AAG  AA AAA ,%AA  AB AXNAA AAF AA AAA  AA AAG PlxAA AACPd AA AAA AA AA@$1AA AAF. AA AAD  (AA C0 AADC04\jAA AC A AAA 0Cj C U@,EAA AAF! AA AAA  8G tACpA@DNAA AFF AA AAA 8AA AA A AAF p]< AF AAC$ AA AAF @NAA AFF AA AAA \d pAFA$OAF AB @lAA AAF AA AAH @Y AA AAC AA AAA XDAA AAFS AA AAG  AA AAH tzlAA AAF AA AAA  AA AAA n AA AAF H$ KNA AAFAA AACPp jAA AAF AA AAD AA AAh AA AAC@x AA AAE _ AA AAE C AA AAI 0! 'C0L A o A T! C0 A  A x! (! CAA F8 AA<!,AA AAF AA AA@! AA AAF AA AAE @<"#AA AAF^ AA AAD T"AA AAFW AA AAC  AA AAF "#C _"AC YA,#AA C ^  AAC 8@#T AA C \  AAE b  AAA <|# AA AAFS AA AAA #x%QFAT#D&$ AA AAFS AA AAG 6 AA AAF 8$/C O$P$$/I Q i G <x$04AA AAF%AA AA<$2AA C  CAG ]  AAA <$l@AF F:  AAG    AAA |8%CCAA AAC4 AA AAG B AA AAJ C AA AAI BAA AAl%DTAA AAFL AA AAF V AA AAF [ AA AAA P(&ITAA AAC` AA AAC AA AA|&JAA AACPB AA AAC  AA AAE T AA AAE c AA AAE X'4L'AA AAF3 AA AAE 8 AA AAA X\'s#AA AAFT AA AAF p AA AAD @'l AA AAF AA AAE <' AA AACpJ AA AAC @<(AA AAF AA AAA 4(tCAA AF' A AAA h(AA AAC` AA AAE ` AA AAD L AA AAH T$)AF AAF AA AAD  AA AAA T|)ȫ#AA AAFz AA AAH A AA AAC T)DAA AAC`% AA AAH P AA AAD T,* AA AAF+ AA AAG  AA AAF *AF{A4*<AA AF A AAE 4*AA AC  A AAD T+AA AAF AA AAF F AA AAF p+AC0h AC +`+\+h+d+`+\#C _,t$,p8,l=AC wAX,l,,,,|,x,t ,pAFA- -AFA @-dAFAd-x-U[0y-$U[0y -lAFA -(]AFTA@-dQA AAF AA AAH ,4.@AF] AC JAd.#L UP|.AF AACP AA AAA yAA AA .AC  AA @.AF AAF AA AAE <8/\AA AACpw AA AAF Xx/gAA AAFT AA AAF  AA AAL T/0 OAA AAF AA AAB  AA AAL @,0(AA AAF AA AAG 4p0QA AFX A AAD @0 AA AAF AA AAE h0AA AAC$ AC AAE  AC AAF CCC AA<X1zAA AAC@@ AA AAE @1,dAA AAF AA AAB <1XBAA AAC` AA AAA <2h #AA AACX AA AAA X\2X" AA FAF\ AA AAA @ AA AAA @2,AF AAF' AA AAA @280NAF AAF AA AAA @@3D3AA AAKo AA AAF <39AF AACp AA AAA @3;AA AAF AA AAA <4LB%AA AACp AA AAA @H4|AA AAF AA AAH \>حKC0{ A x> KC0{ A >@/C0_ A @>T&AA AAF[ AA AAG @>@&AA AAFV AA AAD @8?,AA AAFD AA AAF <|?AA AAF AA AAE <?ȹAA AAF AA AAB <?xAA AAF AA AAA <<@HAA AAF AA AAA <|@TAA AAC`P AA AAE <@8AA AAF AA AAB <@AA AAF AA AAE <ACp AF W\@\WAqAA F  AAF   AAG   AAG c  AAA $LX(^ACp% AF tX_ACp AA X` F+ G $Xk/ACpC AH Xm!Xm!YmC@ A $YnC@ F @Yo&C0u H  A 8dYpAH+ AC ~ AA b AA YtNCP1 A YuNCP1 A YvC }YdwSZwsC0oZxoC0k4Zpx CP PZdy_CP A lZzCp A Zl|C` A Z}C` A Zt/C A ZMCp: A ZeCpP A [ Cp A 4[ЅC@$P[ԆAF AA x[ F5 E <[|AA AACPn AA AAA T[wAA AAF AA AAG d AA AAA 0\)CP%$L\(AFy AA t\DC@ G A A \Cp~ A \pC0 G 4\d9AA ACP A AAB 4]l9AA ACP A AAB @]tACA d]ACA]lF A ],C a D e A $] ACp AE ,]AA F  AAA ,$^AA F  AAA @T^@)AA AAF AA AAA ^,MCP A ^`lF A ,^AA F  AAA ,_pAA Fr  AAA 4_CPPL_AA AACP AA AAJ CAA AA _D~Cp A Z A _CP_HC0 G _<F<`AA AACpV AA AAG T`Ft A t``Fo A `Cp A `Fc A `C@ A ,`+ AA F  AAG aCp8a C0Pa)Fu E paCp@aqAA ACFZ AA AAA @aTu AC AAF AA AAC @b AA AAH AA AAF @XbOAA AAH AA AAA b((C0 C p H @b4AA AAC AA AAA $c"ACP+ AH ,cH%C<Hc' AA FAC@} AA AAC <c(AA AACp| AA AAA c?C ,c? AA F  AAG dK^CPZ,dHLC@ A HHdLM AA AF A AAD j A AAA @dSAA AAFj AA AAH TdlfAA AAF AA AAD l AA AAH 0ejF A 4Pe4oAA Cp~  AAC  AA,e pACp^ AE | AC ,eqDAA Cp  AAD 4es,AA AC` A AAB < fuKAA AAF<AA AA<`fvKAA AAC?AA AAfw-PfwAA AAC@ FA AAH CCA AA<gLx2AB BH AAA H F AAA G 4HgLznAA C G  AAB [ AA@gzrAA AAF AA AAA @giAA AAF# AA AAG 0h;AA ACH1A AAAA AAF AA AAD \jإ^AA PK8jAA AACPAA AAPjAA AAC@{ AA AAB OAA AA@kAF FFF AA AAB <TkAA AAFw AA AAA kP4C p4kxzAA AC@  A AAG <kAF AACP3 AA AAE $l 48lL* LlhSAo H ZXplAA AAC AA AAE + AA AAA 4lHAA AC0' A AAH 0mWAB AG  AAA H (8m{AB FnAAA 8dmPAA AAE@rCA AA8mAC FAC@CA AA(mheAA C ] AA8nAA AAE@rCA AA8DnAA AAE@CA AA8nTAA AAE@rCA AA8nAA AAE@rCA AAhnAA AAC` AC AAA Y AA AAC Y AA AAC doAC AXolAF AAC AA AAJ  AA AAA oZAA AACW AA AAF   AA AAK 9 AA AAK Y AA AAK Y AA AAK yAA AAp`ZAA AACW AA AAF   AA AAK 9 AA AAK Y AA AAK Y AA AAK yAA AATDqiAA AAC AA AAG q AA AAK Xq(m AA AAF AA AAA  AA AAA Xq< AA AAF AA AAA  AA AAC pTr!AA AAFB$ AA AAA  AA AAA , AA AAA Xr|6AA AAF, AA AAF i AA AAC <$s@>YAA AAH@ AA AAH <ds`?AA FACp AA AAH <s@AF AACP AA AAE @spB1AF AACv AA AAJ @(tlDAF AAC AA AAI @ltG AA AAC7 AA AAF <tJAA AAC`U AA AAH <tDLAA AAC`U AA AAH P0uMAA AACU AA AAH [AA AAPu OAA AACU AA AAH [AA AA@u\PAA AACV AA AAG @vQAA AACV AA AAG <`vSAA AAC AA AAA <vSAA AAC AA AAA XvT&AA AAFV AA AAL  AA AAF <C Q D Y A @|AF AFFQ AA AAA ,AA E G  AAH H؛6AA CC c A AAB h A AAE Xh̜JAA AC  A AAB S A AAA \ A AAE ĊxAA CAC@U AA AAF U AA AAG l AA AAH c AA AAE <HAA AACpR AA AAC <,@AA ACEP AA AAC hȋ,AA AACPs AA AAB { AA AAE CAA AAh4AA AACPs AA AAB { AA AAE CAA AAhDAA AACpb AA AAC u AA AAG KAA AA اAA AAEp AA AAH m AA AAG A AA AAC T CA AAF  AA AAB VAA AA<ثAA CACPzAA AA@( AA CAHM AA AAA @AA AAC AA AAH u AA AAG A AA AAC X CA AAJ x AA AAL N AA AAB gAA AA< AA AAF CA AAE  AA AAE  AA AAA  AA AAA v AA AAE d CA AAE  AA AAA |ԏ^AA AAEPP AA AAK  AA AAB g AA AAE UAA AATpeC0` A 8pAA AACpAA AA8hAA AACpAA AAX >AA AC M A AAB b A AAC c A AAJ 8DAA C0v  AAC r  AAD 8AA C0~  AAC r  AAD @hAA FAC[ AC AAA 8AA E0k  AAD N  AAH <<XAA AACp_ AA AAA 4|AC T AG C AA C AE ( }AX G C A X8tAA C V  AAC A  AAE </AA AACP AA AAA <\AA AAC@ AA AAA TAF AAHP AA AAD 0 AA AAA TAA AAEPS CA AAF  EA AAA 4LAA AC0q A AAF T AA AACPd CA AAG  CA AAF hܔFAA AACP[ AA AAA C CA AAH u CA AAA <H|AA AAC@ AA AAD lAA AACP AA AAC L CA AAF  CA AAA BAC m AF @8AA AFF AA AAA <`AA AAC@ AA AAG tkC u H j,wAC S CF ` CE TAA AAC@ CA AAG  CA AAH HKC W F jThAA AACP- CA AAF 7 CA AAC DKC W F j@tAA AAC CA AAH h$vAA AAC@ CA AAE n CA AAD Y CA AAA $ZAA AACpl CA AAG  CA AAG G CA AAC ` CA AAB  AA AAC` CA AAD   CA AAA A CA AAA \ CA AAF 1C m1C m̙ZAA AACpl CA AAG  CA AAG G CA AAC ` CA AAB TAA AACP CA AAB  CA AAF a CA AAA  CA AAD M CA AAE @KAA AAF AA AAA 4]AC WA@X !) AA AAC AA AAE @*iAA AAFz AA AAH P$IAA AAE AA AAE CAA AAP4KAA AAE AA AAE CAA AAT,NAA AAF AA AAH v AA AAA @PIAA AAFm AA AAE @$U)AA AAFL AA AAF @hXAA AAF AA AAL @\AA AAF AA AAF P`MAA AAC AA AAA zAA AA@DbO AF AAF  AA AAA <oAA AAC$ AA AAPȞoAA FACp] AA AAC ^AA AA8HqAA C@R  AAG O AAXqlq5 qAFq FA TprAA AAC0L AA AAA I AA AAC DrAA AC z A AAE K A AAA $D@saA~ A M C P,lstAA @ AE jA sAFq FA 8TtAA F|  AAB K  FDA 8tFAA Ax  AAC C AA,8tFAA j AK JCh u%|(u 4u0AA hE@u ȡLuAF~ AA u;AA pH$uACK AH l8|vAA AAFR FA AAC  CA AAE o FA AAH <wAA AAF@ AA AAH x+C0ex/C i,xdAA t AA fA,H,y|AA t AI xA,x|ytAA n AG xAyyXC0h E gܣzTTzcz0zdACj AI M FE MF@Lz}AA AAF AA AAA 4$CC0t A U K ~ J W A E C E C ,Ȥ< AG I AAA G < VAA AAF AA AAC <8,AA AAC0 CA AAA <x̐AA AAF AA AAA @lZAA AAF AA AAB .PAA AAC0x AA AAE eAA AA<dPAA AACPC AA AAB 8aAA CAN0HAA AA4 Gj. F g  Dó < hPo ooĘ&6FVfvƠ֠&6FVfvơ֡&6FVfvƢ֢&6FVfvƣ֣&6FVfvƤ֤&6FVfvƥ֥&6FVfvƦ֦&6FVfvƧ֧&6FVfvƨ֨ identity 180 deg rotation - cart. axis [0,0,1] 180 deg rotation - cart. axis [0,1,0] 180 deg rotation - cart. axis [1,0,0] 180 deg rotation - cart. axis [1,1,0] 180 deg rotation - cart. axis [1,-1,0] 90 deg rotation - cart. axis [0,0,-1] 90 deg rotation - cart. axis [0,0,1] 180 deg rotation - cart. axis [1,0,1] 180 deg rotation - cart. axis [-1,0,1] 90 deg rotation - cart. axis [0,1,0] 90 deg rotation - cart. axis [0,-1,0] 180 deg rotation - cart. axis [0,1,1] 180 deg rotation - cart. axis [0,1,-1] 90 deg rotation - cart. axis [-1,0,0] 90 deg rotation - cart. axis [1,0,0] 120 deg rotation - cart. axis [-1,-1,-1] 120 deg rotation - cart. axis [-1,1,1] 120 deg rotation - cart. axis [1,1,-1] 120 deg rotation - cart. axis [1,-1,1] 120 deg rotation - cart. axis [1,1,1] 120 deg rotation - cart. axis [-1,1,-1] 120 deg rotation - cart. axis [1,-1,-1] 120 deg rotation - cart. axis [-1,-1,1] 60 deg rotation - cryst. axis [0,0,1] 60 deg rotation - cryst. axis [0,0,-1] 120 deg rotation - cryst. axis [0,0,1] 120 deg rotation - cryst. axis [0,0,-1] 180 deg rotation - cryst. axis [1,-1,0] 180 deg rotation - cryst. axis [2,1,0] 180 deg rotation - cryst. axis [0,1,0] 180 deg rotation - cryst. axis [1,1,0] inversion inv. 180 deg rotation - cart. axis [0,0,1] inv. 180 deg rotation - cart. axis [0,1,0] inv. 180 deg rotation - cart. axis [1,0,0] inv. 180 deg rotation - cart. axis [1,1,0] inv. 180 deg rotation - cart. axis [1,-1,0] inv. 90 deg rotation - cart. axis [0,0,-1] inv. 90 deg rotation - cart. axis [0,0,1] inv. 180 deg rotation - cart. axis [1,0,1] inv. 180 deg rotation - cart. axis [-1,0,1] inv. 90 deg rotation - cart. axis [0,1,0] inv. 90 deg rotation - cart. axis [0,-1,0] inv. 180 deg rotation - cart. axis [0,1,1] inv. 180 deg rotation - cart. axis [0,1,-1] inv. 90 deg rotation - cart. axis [-1,0,0] inv. 90 deg rotation - cart. axis [1,0,0] inv. 120 deg rotation - cart. axis [-1,-1,-1]inv. 120 deg rotation - cart. axis [-1,1,1] inv. 120 deg rotation - cart. axis [1,1,-1] inv. 120 deg rotation - cart. axis [1,-1,1] inv. 120 deg rotation - cart. axis [1,1,1] inv. 120 deg rotation - cart. axis [-1,1,-1] inv. 120 deg rotation - cart. axis [1,-1,-1] inv. 120 deg rotation - cart. axis [-1,-1,1] inv. 60 deg rotation - cryst. axis [0,0,1] inv. 60 deg rotation - cryst. axis [0,0,-1] inv. 120 deg rotation - cryst. axis [0,0,1] inv. 120 deg rotation - cryst. axis [0,0,-1] inv. 180 deg rotation - cryst. axis [1,-1,0] inv. 180 deg rotation - cryst. axis [2,1,0] inv. 180 deg rotation - cryst. axis [0,1,0] inv. 180 deg rotation - cryst. axis [1,1,0] h㈵>C_1 (1) C_i (-1) C_s (m) C_2 (2) C_3 (3) C_4 (4) C_6 (6) D_2 (222) D_3 (32) D_4 (422) D_6 (622) C_2v (mm2) C_3v (3m) C_4v (4mm) C_6v (6mm) C_2h (2/m) C_3h (-6) C_4h (4/m) C_6h (6/m) D_2h (mmm) D_3h (-62m)D_4h(4/mmm)D_6h(6/mmm)D_2d (-42m)D_3d (-3m) S_4 (-4) S_6 (-3) T (23) T_h (m-3) T_d (-43m) O (432) O_h (m-3m) ? dddNONEVDW1VDW2VV10VDWXVDWYVDWZNONETPSSM06LTB09NOGXB88 GGX PBX RPB HCTHOPTXxxxxPB0XB3LPPSX WCX HSE RW86PBE xxxxC09XSOX xxxxQ2DXGAUPPW86B86BOBK8OB86EVX B86RCX13NOGCP86 GGC BLYPPBC HCTHNONEB3LPPSC PBE xxxxxxxxQ2DCNOX SLA SL1 RXC OEP HF PB0XB3LPKZK not set NOC PZ VWN LYP PW WIG HL OBZ OBW GL KZK @@undefined ./ UPF UPF UPF UPF UPF UPF UPF UPF UPF UPF ./ os 000000q rZ  !  os.EXIT   6.1 13369 333333@J4q?JanFebMarAprMayJunJulAugSepOctNovDec NOT SET (1p4e23.14) p @ IM Q P p@@u`v@  ek `w@@0P ..0P\_ a P `  ` @@ 2o@` еp  o s @| P0 @@pdcGCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4$P 8 9&i*y > JWTWP{lͽۙz ?# JP%@@NLCDk^STPdȤ  YU-^ pl? os770 HPC X`g ?i  s  =\a  | :?`~ 'J COP R  X Z s%^Kb Eg@  :sxs  Ǖ  ˘ -[ r_` a0 ;bp Yf Wjp ih= s)_`g e[@  )]P g ;' nĦ0$  8 ;`9 e4: ]? A 0B .`R c s R^ pz  % ' : )`W 8 v, D,dplI00')@PgC`S2G % ND nst3-nsp3nsw3nr13-4nr23-8nr33-< 3-@3-D3-Hnpl3-Lnnp3-Pnnr3-Tngl3Xnwl3pnpp3ipp37iss3[G3e333y3-0v3-43-83-<3@0.- ### 40.- ### 40.- ### 40.- ### 40.-7 ### 40.-[ ### 40.- ### 40.- ### 40.- ### 40.- ### 40.- ### 478 xd:x:$7 :H :$lns:[: bec: 0.& ### 8 ## #8 0. ### @ ## #@q 0.&$ ### 8 ## #8 0.[ ### @ ## #@ 0.& ### 8 ## #8 #(#,#$8 #4#8#08 0. ### @ ## #@ #(#,#$@ #4#8#0@ 0.&Z ### 8 ## #8 #(#,#$8  P, >5 =N =h < ; : 9 8 7N 6g 6u 66a 6 6 4G 5 3 2 1 1 1% 0> .W .f .u . . . / / - - , )*'B:B:g,xatsc~xTW&x]cx#W&kc&xc&xfk?x_RoF_vFc&xgimXxgreW{iK-H-xGi-xJ-a*J-iosJ-xirK-,fjK-kK-d&i X}`I-x+i-xi- }J-xJ- nptJ-xwH-xH-xeH-xH-xH-xMH-xI-xJ-xe M Wxzvscx1U :tttpt 7t= :txtxtxtІt tKt3ֵ :ֶtxtxt xtxtxtxtxt xt$xt(xt,xt0xt4xt8xt<xtxtxtwtxtvtІt tKt3, :Btttpt 7tId,8 :tttpt 7tN, :ʷtttpt 7tB, :<tt0tpt 7t"" :\ ttRtpt 7tCE ttRtpt 7tC̿} ttRtpt 7tC< ttRtpt 7tCt ttRtpt 7tCttRtpt 7tCؿ,i :ttԆtpt 7tB5 :tvtwtst ststІ5 :tst}tvt p3/: tst}twt pt.:txtxtxt xtxtp,:Itttpt 7tE1:ttetpt 7t:,Y:tttpt 7t::3:fttttpt 8t?r,:ttotpt 8tD~ t0t0t0t 0 +tht7#Bt}ht}txt4+t}ի#t}"t}tst8t}#t};t}tvt %t}\ttt}t 7t<Ttxtxt tKevtvtvtxt8'tvtwt8;tvtst8M3tv\Ktxkctxtht7Ұ\9Jt0%Jt01x6 twt0tvZt=v0v0*(33$0v0+(wv0v0*(33$0v0+(0.(̵otu޶twtv77#t}Yt}txt4ht}#t}#<t}txt42St}#jt}"t}txt8t}ttttXt8tt tE->sh- X-!"<-f#Hq8$-$%scf&rho:X9-p!8!0.E ### @^7-Kl&zv6&tau6&nat6-&nsp62-r6b&atm6,'&(- 0.& ### 8 ## #80.-, ### 4'<<(- )r#F6rx!6$~*&(-(-$~!&!-$'-(-L3z636`2&511&X1L&NN0&=.-.&A.1&@.0. &.&&at.g~&bg.~'&(-"---,)K":&nks)-+-'OO(-,0.&v ### 80.& ### 8'&--0.- ### 4 0.& ### 8 ## #8'&(-.2 (- 8/(:/"(;jtutu Ot7tTZ$uY|0 01cftB02ܹ0Hq8 s#-322$84T}5}6rec5 w$5(5,5+05;-45-85<5 @50-D5-H5SL6uP7id7pos8s8- 8v-$8G(8k,8-08-4887pad<8-@8k-D8D<H8gL8-P95A-5(%-5f5m- 5a-55S$':3U24-3"23%;24-3T24-  e0_v003c2324-3p2 3n42X-2Z0;&&;422M\J0F6xrx#= 00<#44-303303(-$=-2 % cft B Aa b   -n -   -isn -iiG-iG-aa&&3 aj& ajm&6 ajp&X ak& akm& akp&8 atFpbb'& bj& bjm&k bjp& bk& bkm& bkp&2 btFr c1& c2&@ c3& c72Q&e cd& ckFs incL- jh-\ jc\-? jf_- jji-v kb-) k1-L k2-? k3- k4- kk-! ksY-7$ Z-$ _ -%& kts-& ma-5' I-T) T J- Dp nn[-) npDy ntX-* radO&+ ]&s+ s1&+ R&, s2&, s3&. s72P&. sd&/ skFutn&t n&n&"At o&s-&tpt pv/tsUtstt+jtst0t0&-Y &--- -- sin&&  &c  TXXrec w$(,+0;-4-8< @0-D-HSLuPidposs- v-$G(k,-0-48pad<-@k-DD<HgL-PA-(%-fm- a-u-S e  -!p " -,2t   op}wtsftskt0t0 f  X W H   Y E   ee 8  $? 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