file name  ->  acmlfft.F90
file name  ->  b_BerryPhase.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_BerryPhase.o
file name  ->  b_Crystal_Structure.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 548 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 548 $)
file name  ->  b_Crystal_Structure.o
file name  ->  b_Electronic_Structure.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_Electronic_Structure.o
file name  ->  b_Fermi.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_Fermi.o
file name  ->  b_Force_f77.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_Force_f77.o
file name  ->  b_Ionic_System.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
39c39
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
122c122
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
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< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
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< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
315c315
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
352c352
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_Ionic_System.o
file name  ->  b_Kpoints.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
40c40
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
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< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
581c581
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
663c663
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
744c744
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
805c805
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
874c874
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
974c974
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1076c1076
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1208c1208
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1314c1314
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1347c1347
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1392c1392
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1438c1438
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
1684c1684
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
file name  ->  b_Kpoints.o
file name  ->  b_Ldos_f77.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_Ldos_f77.o
file name  ->  b_LinearResponse_exc.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_LinearResponse_exc.o
file name  ->  b_LinearResponse_Kernel.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_LinearResponse_Kernel.o
file name  ->  bond_angle_constraint.mod
file name  ->  bond_angle_diff_constraint.mod
file name  ->  bond_length_constraint.mod
file name  ->  bond_length_diff_constraint.mod
file name  ->  bond_length_sum_constraint.mod
file name  ->  bottom_Subroutines.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
227c227
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
251c251
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
280c280
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
433c433
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
459c459
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
579c579
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
807c807
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
file name  ->  bottom_Subroutines.o
file name  ->  b_PAW_XC_Potential.F90
file name  ->  b_PAW_XC_Potential.o
file name  ->  b_PlaneWaveBasisSet.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
43c43
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
100c100
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
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< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
240c240
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
315c315
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
395c395
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
473c473
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
699c699
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
843c843
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
996c996
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_PlaneWaveBasisSet.o
file name  ->  b_PseudoPotential_EXX.F90
file name  ->  b_PseudoPotential_EXX.o
file name  ->  b_PseudoPotential_f77.f
file name  ->  b_PseudoPotential_f77.o
file name  ->  b_PseudoPotential.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
42c42
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
112c112
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
197c197
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
324c324
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
606c606
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
708c708
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
877c877
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
970c970
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1000c1000
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1033c1033
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1069c1069
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1106c1106
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1145c1145
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1185c1185
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1216c1216
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1291c1291
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1369c1369
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
1999c1999
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_PseudoPotential.o
file name  ->  b_Words.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  b_Words.o
file name  ->  b_XC_metagga.F90
file name  ->  b_XC_metagga.o
file name  ->  b_XC_OmegaPBE.F90
file name  ->  b_XC_OmegaPBE.o
file name  ->  b_XC_Potential.F90
file name  ->  b_XC_Potential.o
file name  ->  Calc_Epsilon.f90
file name  ->  Calc_Epsilon.o
file name  ->  center_of_mass_constraint.mod
file name  ->  ChargeDensity_Construction.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  ChargeDensity_Construction.o
file name  ->  ChargeDensity_Mixing.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  ChargeDensity_Mixing.o
file name  ->  class_position.mod
file name  ->  commtxt.h
file name  ->  constraint_main.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 500 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 500 $)
file name  ->  constraint_main.o
file name  ->  Convergence_Check.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 472 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 472 $)
file name  ->  Convergence_Check.o
file name  ->  coord_num_constraint.mod
file name  ->  crotylm.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  crotylm.o
file name  ->  Dealloc_Radr_and_Wos_Epsilon.f90
file name  ->  Dealloc_Radr_and_Wos_Epsilon.o
file name  ->  decfft_ent.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  decfft_ent.o
file name  ->  dgemm__.F
file name  ->  diffiles_2016.01.00
file name  ->  DIFF.sh
file name  ->  DIFF.sh~
file name  ->  dihedral_angle_constraint.mod
file name  ->  distance_from_com_constraint.mod
file name  ->  distance_from_pos_constraint.mod
file name  ->  dxmlfft.f
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  ekmain.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  ekmain.o
file name  ->  Epsilon_postscf.F90
file name  ->  Epsilon_postscf.o
file name  ->  epsmain.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 443 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 443 $)
file name  ->  epsmain.o
file name  ->  Ewald_and_Structure_Factor.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 454 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 454 $)
file name  ->  Ewald_and_Structure_Factor.o
file name  ->  Finalization_of_mpi.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 556 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 556 $)
file name  ->  Finalization_of_mpi.o
file name  ->  Forces_ep.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Forces.F90
10c10
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Forces.o
file name  ->  GaussLeg.f90
file name  ->  GaussLeg.o
file name  ->  get6d2rank.c
file name  ->  getclkreg.c
file name  ->  getclkreg.h
file name  ->  gncpp_xc_gga_rad.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  gncpp_xc_gga_rad.o
file name  ->  heap_sort.F90
6c6
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  heap_sort.o
file name  ->  Initial_Electronic_Structure.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 563 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 501 $)
34c34
< ! $Id: Initial_Electronic_Structure.F90 563 2017-02-27 06:48:15Z yamasaki $
---
> ! $Id: Initial_Electronic_Structure.F90 501 2016-06-09 02:33:09Z jkoga $
949,950d948
<            if(icond == FIXED_CHARGE_CONTINUATION.and.iteration_electronic == 0) &
<                 & call m_Files_open_nfzaj_append()
file name  ->  Initial_Electronic_Structure.o
file name  ->  Initialization_Epsilon.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Initialization_Epsilon.o
file name  ->  Initialization.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 515 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 515 $)
163c163
<     write(vers,'("phase/0 2016.01 Revision:",i5," -- ORG_Parallel --")') svn_revision
---
>     write(vers,'("Revision:",i5," -- ORG_Parallel --")') svn_revision
file name  ->  Initialization.o
file name  ->  Initial_MD_Condition.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Initial_MD_Condition.o
file name  ->  InputData_Analysis.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 547 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 547 $)
file name  ->  InputData_Analysis.o
file name  ->  input_interface.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 475 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 475 $)
file name  ->  input_interface.o
file name  ->  input_parse.c
4c4
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 409 $)
---
> !  PROGRAM  PHASE/0 2014.03 ($Rev: 409 $)
file name  ->  input_parse.h
4c4
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 409 $)
---
> !  PROGRAM  PHASE/0 2014.03 ($Rev: 409 $)
file name  ->  input_parse.o
file name  ->  IterationNumbers_Setting.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 563 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
36c36
< ! $Id: IterationNumbers_Setting.f90 563 2017-02-27 06:48:15Z yamasaki $
---
> ! $Id: IterationNumbers_Setting.f90 440 2015-08-03 07:18:01Z ktagami $
124c124
<        write(nfout,'(" ---- iteration(total, ionic, electronic) = ",3i8," ----")') &
---
>        write(nfout,'(" ---- iteration(total, ionic, elelctronic) = ",3i8," ----")') &
127c127
<        write(nfout,'(" ---- iteration(total, unitcell, ionic, electronic) = ",4i8," ----")') &
---
>        write(nfout,'(" ---- iteration(total, unitcell, ionic, elelctronic) = ",4i8," ----")') &
file name  ->  IterationNumbers_Setting.o
file name  ->  jrcat_fft.F
file name  ->  libesm.a
file name  ->  lib_int_deri_add.f90
file name  ->  lib_int_deri_add.o
file name  ->  lib_int_deri.f90
file name  ->  LinearResponse_Proc.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  LinearResponse_Proc.o
file name  ->  LinearResponse_Spec.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  LinearResponse_Spec.o
file name  ->  Makefile.frtpx
4,6d3
< ###########################################################################
< ###<< PLEASE CHANGE THE VARIABLES BELOW ACCORDING TO YOUR ENVIRONMENT >>###
< ###########################################################################
12,14c9,11
< F90FLAGS = -Nsetvalue -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2 -c -V -Qa,d,i,p,t,x -Koptmsg=2
< F77FLAGS = -Nsetvalue -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2 -c -V -Qa,d,i,p,t,x -Koptmsg=2
< CFLAGS   = -DINTEL -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2
---
> F90FLAGS = -Kparallel,ocl,preex,array_private,auto,simd=2,openmp -c -V -Qa,d,i,p,t,x -Koptmsg=2
> F77FLAGS = -Kparallel,ocl,preex,array_private,auto,simd=2,openmp -c -V -Qa,d,i,p,t,x -Koptmsg=2
> CFLAGS   = -DINTEL -Kfast,parallel,ocl,preex,array_private,auto,simd=2,openmp -DINTEL
16c13
< ESM = yes
---
> ESM=YES
24,27c21,25
< CPPFLAGS = -DLinux -DFFTW3 -D_POT_SMOOTHING_ -DTRANSPOSE -DGGA_ATOMIC_WITH_NEW_GNCPP -DREMOVE_PC_FROM_FORCE -D_USE_LAPACK_ -D_POSITRON_ -D_FAST_WAY_ -D_USE_DATE_AND_TIME_ -DUSE_NONBLK_COMM -DRMM_NONLOCAL_NEW -D_USE_SCALAPACK_ -DMULT_PHASE_RSPACE ${CPPESM}
< LFLAGS = -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2 #-W0,-zprl=Src2ex
< INCLUDE=-I/usr/local/fftw/3.3/include
< LIBS = -L./ ${LESM} -Kopenmp -SSL2BLAMP -SCALAPACK -L/usr/local/fftw/3.3/lib64 -lfftw3 -lfftw3_omp -lfftw3_mpi $(KLINK) #ScaLAPACK+FFTW3.3
---
> INCLUDE=-I/usr/local/fftw/3.3/lib64/../include
> 
> CPPFLAGS = -D_USE_DATE_AND_TIME_ -DLinux -DFFTW3 -D_POT_SMOOTHING_ -DTRANSPOSE -DGGA_ATOMIC_WITH_NEW_GNCPP -DREMOVE_PC_FROM_FORCE -D_USE_LAPACK_ -D_POSITRON_ -D_FAST_WAY_ -DUSE_NONBLK_COMM -D_USE_SCALAPACK_ ${CPPESM} -DRMM_NONLOCAL_NEW -DMULT_PHASE_RSPACE
> LFLAGS   = -Kfast,parallel,ocl,preex,array_private,auto,simd=2,openmp,mfunc=2 -DINTEL #-W0,-zprl=Src2ex
> LIBS      = -L./ ${LESM} -L/usr/local/fftw/3.3/lib64 -lfftw3 -lfftw3_omp -lfftw3_mpi -SSL2BLAMP $(KLINK) -SCALAPACK -Kopenmp #ScaLAPACK+FFTW3.3
31d28
< 
39d35
< OBJ_INPUTPARSE = input_parse.o
40a37
> OBJ_INPUTPARSE = input_parse.o
62c59
< m_Charge_Density.o  m_Orbital_Population.o    m_CD_mixing.o m_Dipole.o               \
---
> m_Charge_Density.o   m_Orbital_Population.o     m_CD_mixing.o m_Dipole.o               \
95,96c92
< m_SpinOrbit_ForceTheorem.o \
< m_Fcp.o
---
> m_SpinOrbit_ForceTheorem.o
187c183
< m_Charge_Density.o  m_Orbital_Population.o    m_CD_mixing.o m_Dipole.o               \
---
> m_Charge_Density.o   m_Orbital_Population.o     m_CD_mixing.o m_Dipole.o               \
216,217c212
< m_SpinOrbit_ForceTheorem.o \
< m_Fcp.o
---
> m_SpinOrbit_ForceTheorem.o
224d218
< Preparation_for_ESM.o \
302c296
< m_Charge_Density.o    m_Orbital_Population.o   m_CD_mixing.o m_XC_Potential.o \
---
> m_Charge_Density.o   m_Orbital_Population.o    m_CD_mixing.o m_XC_Potential.o \
321,322c315
< m_Wannier.o \
< m_Wannier90.o \
---
> m_Wannier.o m_Wannier90.o \
329,330c322
< m_SpinOrbit_ForceTheorem.o \
< m_Fcp.o
---
> m_SpinOrbit_ForceTheorem.o 
335,336c327
< EPS_F_OTHERSUBS  = epsmain.o      constraint_main.o     Preparation_for_mpi.o \
< Preparation_for_ESM.o \
---
> EPS_F_OTHERSUBS  = epsmain.o           constraint_main.o Preparation_for_mpi.o \
437,438c428
< m_Wannier.o \
< m_Wannier90.o \
---
> m_Wannier.o m_Wannier90.o \
455,456c445
< TDLR_F_OTHERSUBS  = tdlrmain.o     constraint_main.o    Preparation_for_mpi.o \
< Preparation_for_ESM.o \
---
> TDLR_F_OTHERSUBS  = tdlrmain.o         constraint_main.o  Preparation_for_mpi.o \
513d501
< 
541,544d528
< ifdef NO_MPI
< libesm.a:
< 	cd EsmPack; make INCLUDE="$(INCLUDE)" FORTRAN="$(F90)" LIBFLAG="$(LIBS)" MPIFLAG="" AR="$(AR)"
< else
547d530
< endif
file name  ->  Makefile.gfortran+lapack+fftw+mpi
file name  ->  Makefile.gfortran+lapack+fftw.seq
file name  ->  Makefile.gfortran.seq
file name  ->  Makefile.ifort+mkl
file name  ->  Makefile.ifort+mpi
file name  ->  Makefile.ifort+omp
file name  ->  Makefile.ifort.seq
file name  ->  Makefile.K
4,6d3
< ###########################################################################
< ###<< PLEASE CHANGE THE VARIABLES BELOW ACCORDING TO YOUR ENVIRONMENT >>###
< ###########################################################################
12,14c9,11
< F90FLAGS = -Nsetvalue -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2 -c -V -Qa,d,i,p,t,x -Koptmsg=2
< F77FLAGS = -Nsetvalue -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2 -c -V -Qa,d,i,p,t,x -Koptmsg=2
< CFLAGS   = -DINTEL -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2
---
> F90FLAGS = -Kparallel,ocl,preex,array_private,auto,simd=2,openmp -c -V -Qa,d,i,p,t,x -Koptmsg=2
> F77FLAGS = -Kparallel,ocl,preex,array_private,auto,simd=2,openmp -c -V -Qa,d,i,p,t,x -Koptmsg=2
> CFLAGS   = -DINTEL -Kfast,parallel,ocl,preex,array_private,auto,simd=2,openmp -DINTEL
16c13
< ESM = yes
---
> ESM=YES
24,25d20
< CPPFLAGS = -DLinux -DFFTW3 -D_POT_SMOOTHING_ -DTRANSPOSE -DGGA_ATOMIC_WITH_NEW_GNCPP -DREMOVE_PC_FROM_FORCE -D_USE_LAPACK_ -D_POSITRON_ -D_FAST_WAY_ -D_USE_DATE_AND_TIME_ -DUSE_NONBLK_COMM -DRMM_NONLOCAL_NEW -D_USE_SCALAPACK_ -DMULT_PHASE_RSPACE ${CPPESM}
< LFLAGS = -Kfast,parallel,openmp,ocl,preex,array_private,auto,simd=2,mfunc=2 #-W0,-zprl=Src2ex
27c22,25
< LIBS = -L./ ${LESM} -Kopenmp -lm -SSL2MPI -SSL2BLAMP -SCALAPACK \
---
> 
> CPPFLAGS = -D_USE_DATE_AND_TIME_ -DLinux -DFFTW3 -D_POT_SMOOTHING_ -DTRANSPOSE -DGGA_ATOMIC_WITH_NEW_GNCPP -DREMOVE_PC_FROM_FORCE -D_USE_LAPACK_ -D_POSITRON_ -D_FAST_WAY_ -DUSE_NONBLK_COMM -D_USE_SCALAPACK_ ${CPPESM} -DRMM_NONLOCAL_NEW -DMULT_PHASE_RSPACE
> LFLAGS   = -Kfast,parallel,ocl,preex,array_private,auto,simd=2,openmp,mfunc=2 -DINTEL #-W0,-zprl=Src2ex
> LIBS      = -L./ ${LESM} -Kopenmp -lm -SSL2MPI -SSL2BLAMP -SCALAPACK \
32d29
< 
40d36
< OBJ_INPUTPARSE = input_parse.o
41a38
> OBJ_INPUTPARSE = input_parse.o
63c60
< m_Charge_Density.o  m_Orbital_Population.o    m_CD_mixing.o m_Dipole.o               \
---
> m_Charge_Density.o    m_Orbital_Population.o    m_CD_mixing.o m_Dipole.o               \
96,97c93
< m_SpinOrbit_ForceTheorem.o \
< m_Fcp.o
---
> m_SpinOrbit_ForceTheorem.o
188c184
< m_Charge_Density.o  m_Orbital_Population.o    m_CD_mixing.o m_Dipole.o               \
---
> m_Charge_Density.o    m_Orbital_Population.o    m_CD_mixing.o m_Dipole.o               \
217,218c213
< m_SpinOrbit_ForceTheorem.o \
< m_Fcp.o
---
> m_SpinOrbit_ForceTheorem.o
225d219
< Preparation_for_ESM.o \
322,323c316
< m_Wannier.o \
< m_Wannier90.o \
---
> m_Wannier.o m_Wannier90.o \
330,331c323
< m_SpinOrbit_ForceTheorem.o \
< m_Fcp.o
---
> m_SpinOrbit_ForceTheorem.o 
336,337c328
< EPS_F_OTHERSUBS  = epsmain.o      constraint_main.o     Preparation_for_mpi.o \
< Preparation_for_ESM.o \
---
> EPS_F_OTHERSUBS  = epsmain.o           constraint_main.o Preparation_for_mpi.o \
420c411
< m_Charge_Density.o  m_Orbital_Population.o     m_CD_mixing.o m_XC_Potential.o \
---
> m_Charge_Density.o    m_Orbital_Population.o   m_CD_mixing.o m_XC_Potential.o \
438,439c429
< m_Wannier.o \
< m_Wannier90.o \
---
> m_Wannier.o m_Wannier90.o \
456,457c446
< TDLR_F_OTHERSUBS  = tdlrmain.o     constraint_main.o    Preparation_for_mpi.o \
< Preparation_for_ESM.o \
---
> TDLR_F_OTHERSUBS  = tdlrmain.o         constraint_main.o  Preparation_for_mpi.o \
514d502
< 
542,545d529
< ifdef NO_MPI
< libesm.a:
< 	cd EsmPack; make INCLUDE="$(INCLUDE)" FORTRAN="$(F90)" LIBFLAG="$(LIBS)" MPIFLAG="" AR="$(AR)"
< else
548d531
< endif
file name  ->  Makefile.tmpl
file name  ->  m_BerryPhase.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_berryphase.mod
file name  ->  m_BerryPhase.o
file name  ->  m_BP_Properties.F90
6c6
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
150c150,151
< !!$       write(nfout,*) 'DEBUG: num_berry_phase = ',num_berry_phase;      call flush(nfout)
---
>        write(nfout,*) 'DEBUG: num_berry_phase = ',num_berry_phase
>        call flush(nfout)
156c157,158
< !!$             write(nfout,'("m_BP_read_Berry_phase: "i7,"-th berry data is reading.")') i;   call flush(nfout)
---
>              write(nfout,'("m_BP_read_Berry_phase: "i7,"-th berry data is reading.")') i
>              call flush(nfout)
179c181,182
< !!$          write(nfout,*) 'DEBUG: max_num_kpoints = ',max_num_kpoints;  call flush(nfout)
---
>           write(nfout,*) 'DEBUG: max_num_kpoints = ',max_num_kpoints
>           call flush(nfout)
184c187,188
< !!$             write(nfout,'("m_BP_read_Berry_phase: "i7,"-th berry data is reading.")') i;   call flush(nfout)
---
>              write(nfout,'("m_BP_read_Berry_phase: "i7,"-th berry data is reading.")') i
>              call flush(nfout)
191c195,196
< !!$             write(nfout,'("DEBUG: the header was read.")');       call flush(nfout)
---
>              write(nfout,'("DEBUG: the header was read.")')
>              call flush(nfout)
222c227,228
< !!$             write(nfout,'("DEBUG: berry phase is reading.")');             call flush(nfout)
---
>              write(nfout,'("DEBUG: berry phase is reading.")')
>              call flush(nfout)
234c240,241
< !!$                write(nfout,'("DEBUG: strain tensor is reading.")');    call flush(nfout)
---
>                 write(nfout,'("DEBUG: strain tensor is reading.")')
>                 call flush(nfout)
248,251c255,256
<              if(printable) then
<                 write(nfout,'(i7,"-th berry data was read.")') i
<                 call flush(nfout)
<              end if
---
>              if(printable) write(nfout,'(i7,"-th berry data was read.")') i
>              call flush(nfout)
274,275c279
< !!$          call mpi_bcast(cphi,max_num_kpoints*ismax*num_berry_phase*2,&
<           call mpi_bcast(cphi,max_num_kpoints*ismax*num_berry_phase,&
---
>           call mpi_bcast(cphi,max_num_kpoints*ismax*num_berry_phase*2,&
file name  ->  m_bp_properties.mod
file name  ->  m_BP_Properties.o
file name  ->  m_CD_Mag_Moment.f90
file name  ->  m_cd_mag_moment.mod
file name  ->  m_CD_Mag_Moment.o
file name  ->  m_CD_mixing.F90
file name  ->  m_cd_mixing.mod
file name  ->  m_CD_mixing.o
file name  ->  m_Charge_Density.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 553 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 553 $)
file name  ->  m_charge_density.mod
file name  ->  m_Charge_Density.o
file name  ->  m_Const_Parameters.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 472 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 472 $)
file name  ->  m_const_parameters.mod
file name  ->  m_Const_Parameters.o
file name  ->  m_constraints_data.mod
file name  ->  m_constraints.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_constraints.mod
file name  ->  m_constraints.o
file name  ->  m_Control_Parameters.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 555 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 555 $)
2554,2556c2554
< !!$  real(kind=DP) :: maxk=10.d0,r12max=30.0d0  ! r12max=30.0 Bohr
<   real(kind=DP) :: maxk=10.d0,r12max=56.7d0   ! r12max=56.7d0 Bohr = 30.0 Angstrom
< !                Default r12max is changed from "r12max=30.0" bohr by T. Yamasaki,2017/04/14
---
>   real(kind=DP) :: maxk=10.d0,r12max=30.0d0
4509c4507
<           if(f_getRealValue(tag_electric_field,dret,"hartree/bohr")==0)then
---
>           if(f_getRealValue(tag_electric_field,dret,'')==0)then
4637c4635
<          if(f_getRealValue(tag_r12max,dret,"bohr")==0) r12max = dret
---
>          if(f_getRealValue(tag_r12max,dret,'')==0) r12max = dret
7450,7455d7447
<           end if
<           if(sw_partial_charge == ON .and. sw_charge_rspace == OFF) then
<              sw_charge_rspace = ON
<              if(ipriinputfile >= 1) then
<                 write(nfout,'(" !** sw_charge_rspace   = ",i6, " : This is changed due to sw_partial_charge")') sw_charge_rspace
<              end if
file name  ->  m_control_parameters.mod
file name  ->  m_Control_Parameters.o
file name  ->  m_CoreLevel_Spectrum.F90
file name  ->  m_corelevel_spectrum.mod
file name  ->  m_CoreLevel_Spectrum.o
file name  ->  m_Crystal_Structure.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
file name  ->  m_crystal_structure.mod
file name  ->  m_Crystal_Structure.o
file name  ->  m_CS_Magnetic.F90
file name  ->  m_cs_magnetic.mod
file name  ->  m_CS_Magnetic.o
file name  ->  m_CS_SpaceGroup.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 528 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 528 $)
file name  ->  m_cs_spacegroup.mod
file name  ->  m_CS_SpaceGroup.o
file name  ->  m_db.f90
file name  ->  m_db.mod
file name  ->  m_db.o
file name  ->  mdepmain.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_Dipole.F90
file name  ->  m_dipole.mod
file name  ->  m_Dipole.o
file name  ->  mdmain0.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  mdmain0.o
file name  ->  mdmain.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  m_Electronic_Structure.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 552 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 552 $)
447c447
<     allocate(evdff(3));evdff=1.d99
---
>     allocate(evdff(3))
file name  ->  m_electronic_structure.mod
file name  ->  m_Electronic_Structure.o
file name  ->  m_ELF.f90
file name  ->  m_elf.mod
file name  ->  m_ELF.o
file name  ->  memsize.F90
file name  ->  m_epc_potential.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 472 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 472 $)
file name  ->  m_epc_potential.mod
file name  ->  m_epc_potential.o
file name  ->  m_Epsilon_ek.F90
4c4
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 563 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 556 $)
35c35
< ! $Id: m_Epsilon_ek.F90 563 2017-02-27 06:48:15Z yamasaki $
---
> ! $Id: m_Epsilon_ek.F90 556 2016-10-14 12:22:06Z ktagami $
218c218
< !    p                             :: Poynting vector (circular polarization case)
---
> !    p                             :: pointing vector (circular polarization case)
1315c1315
<           nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>           nspin_kt = nspin
1583c1583
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
1771c1771
< !      px           : x component of Poynting vector
---
> !      px           : x component of pointing vector
1908,1909c1908
<     character(len("pointing")),parameter                   ::    tag_pointing                   = "pointing"  ! pointing is mistake. This is left for compatibility with older versions.
<     character(len("Poynting")),parameter                   ::    tag_Poynting                   = "Poynting"  ! Poynting is right.
---
>     character(len("pointing")),parameter                   ::    tag_pointing                   = "pointing"
2028,2029d2026
<     logical :: tf
< 
2087,2090c2084,2085
<           tf = f_selectBlock( tag_Poynting) == 0
<           if(.not.tf) tf = f_selectBlock( tag_pointing) == 0  ! This is not a true word.
<           if( tf ) then
<              call set_Poynting_vector
---
>           if( f_selectBlock( tag_pointing) == 0) then
>              call set_pointing_vector
2302c2297
<      subroutine set_Poynting_vector
---
>      subroutine set_pointing_vector
2306c2301
<      end subroutine set_Poynting_vector
---
>      end subroutine set_pointing_vector
2971c2966
< !  single crystal case -> set photon polarization or Poynting vector
---
> !  single crystal case -> set photon polarization or pointing vector
2988c2983
<                       write(nfout,'(1x,"!* Poynting vector of photons" &
---
>                       write(nfout,'(1x,"!* pointing vector of photons" &
2993c2988
<                    & write(nfout,'(1x,"!!* --- polarization and Poynting vector cannot be specified simaltaneously." &
---
>                    & write(nfout,'(1x,"!!* --- polarization and pointing vector cannot be specified simaltaneously." &
5017c5012
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
5539c5534
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
5731d5725
<        tot_charge = tot_charge *( af +1 )       ! ASMS 2016/10/21
5763c5757
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
5908c5902
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
6145c6139
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
6334c6328
<     if(nspin_kt > 1 .or. af ==1 ) then
---
>     if(nspin_kt > 1) then
6380c6374
<        do ispin = 1, nspin_kt
---
>        do ispin  = 1, nspin
6383d6376
<        tot_osci = tot_osci *( af +1 )       ! ASMS 2016/10/21
7366c7359
<     do ispin=1,nspin, af+1     ! ASMS
---
>     do ispin=1,nspin, af+1     !????
7415,7417d7407
< 
<     imeps = imeps *( af + 1 )               ! ASMS 2016/10/21
< 
9121,9122c9111
< 
< !!!    rtrans = rtrans*(af+1)      ! ASMS 2016/10/21
---
>     rtrans = rtrans*(af+1)
9309c9298
< !!!    rtrans_hub = rtrans_hub *(af+1)
---
>     rtrans_hub = rtrans_hub *(af+1)
10899c10888
< !!!    ptrans = ptrans*(af+1)         ! ASMS 2016/10/21
---
>     ptrans = ptrans*(af+1)
12348c12337
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
16804c16793
<        nspin_kt = nspin / ( af +1 )       ! ASMS 2016/10/21
---
>        nspin_kt = nspin
16983c16972
<     if(nspin_kt > 1 .or. af == 1 ) then
---
>     if(nspin_kt > 1) then
17019c17008
<        do ispin = 1, nspin_kt
---
>        do ispin  = 1, nspin
17022d17010
<        tot_osci = tot_osci *( af +1 )       ! ASMS 2016/10/21
file name  ->  m_epsilon_ek.mod
file name  ->  m_Epsilon_ek.o
file name  ->  m_ErrorMessages.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_errormessages.mod
file name  ->  m_ErrorMessages.o
file name  ->  m_ES_dos.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 558 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 558 $)
file name  ->  m_es_dos.mod
file name  ->  m_ES_dos.o
file name  ->  m_ES_ExactExchange.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 511 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 511 $)
file name  ->  m_es_exactexchange.mod
file name  ->  m_ES_ExactExchange.o
file name  ->  m_ES_initialWF.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_es_initialwf.mod
file name  ->  m_ES_initialWF.o
file name  ->  m_ES_Intgr_VlhxcQlm.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_es_intgr_vlhxcqlm.mod
file name  ->  m_ES_Intgr_VlhxcQlm.o
file name  ->  m_ES_IO.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 543 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 543 $)
57c57
< !!$#define _DEBUG_ESIO_
---
> #define _DEBUG_ESIO_
file name  ->  m_es_io.mod
file name  ->  m_ES_IO.o
file name  ->  m_ES_LHXC.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 494 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 494 $)
file name  ->  m_es_lhxc.mod
file name  ->  m_ES_LHXC.o
file name  ->  m_ES_Mag_Constraint.f90
file name  ->  m_es_mag_constraint.mod
file name  ->  m_ES_Mag_Constraint.o
file name  ->  m_ES_NonCollinear.f90
file name  ->  m_es_noncollinear.mod
file name  ->  m_ES_NonCollinear.o
file name  ->  m_ES_nonlocal.F90
file name  ->  m_es_nonlocal.mod
file name  ->  m_ES_nonlocal.o
file name  ->  m_ES_occup_EPS.F90
file name  ->  m_es_occup_eps.mod
file name  ->  m_ES_occup_EPS.o
file name  ->  m_ES_occup.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 552 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 552 $)
file name  ->  m_es_occup.mod
file name  ->  m_ES_occup.o
file name  ->  m_ES_ortho.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_es_ortho.mod
file name  ->  m_ES_ortho.o
file name  ->  m_ES_RSB.F90
file name  ->  m_es_rsb.mod
file name  ->  m_ES_RSB.o
file name  ->  m_ES_WF_by_Davidson.F90
11c11
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_es_wf_by_davidson.mod
file name  ->  m_ES_WF_by_Davidson.o
file name  ->  m_ES_WF_by_MatDiagon.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 443 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 443 $)
file name  ->  m_es_wf_by_matdiagon.mod
file name  ->  m_ES_WF_by_MatDiagon.o
file name  ->  m_ES_WF_by_ModifiedDavidson.F90
838,839c838
< !    call get_ipri0(ipridavidson,ipri0)
<     ipri0 = ipridavidson
---
>     call get_ipri0(ipridavidson,ipri0)
983,994c982,993
< !!$  contains
< !!$  
< !!$    subroutine get_ipri0(ipri_in, ipri_out)
< !!$      integer, intent(in)  :: ipri_in
< !!$      integer, intent(out) :: ipri_out
< !!$      if(npes > 1) then
< !!$         if(mype == 0) ipri_out = ipri_in
< !!$         call mpi_bcast(ipri_out,1,mpi_integer,0,mpi_k_world(myrank_k),ierr)
< !!$      else
< !!$         ipri_out = ipri_in
< !!$      end if
< !!$    end subroutine get_ipri0
---
>   contains
>   
>     subroutine get_ipri0(ipri_in, ipri_out)
>       integer, intent(in)  :: ipri_in
>       integer, intent(out) :: ipri_out
>       if(npes > 1) then
>          if(mype == 0) ipri_out = ipri_in
>          call mpi_bcast(ipri_out,1,mpi_integer,0,mpi_k_world(myrank_k),ierr)
>       else
>          ipri_out = ipri_in
>       end if
>     end subroutine get_ipri0
1028,1029c1027
< !    call get_ipri0(ipridavidson,ipri0)
<     ipri0 = ipridavidson
---
>     call get_ipri0(ipridavidson,ipri0)
1945,1947c1943
< !    call get_ipri0(ipridavidson,ipri0)
<     ipri0 = ipridavidson
< 
---
>     call get_ipri0(ipridavidson,ipri0)
2655,2656c2651
< !    call get_ipri0(ipridavidson,ipri0)
<     ipri0 = ipridavidson
---
>     call get_ipri0(ipridavidson,ipri0)
file name  ->  m_ES_WF_by_ModifiedDavidson.F90~
file name  ->  m_es_wf_by_modifieddavidson.mod
file name  ->  m_ES_WF_by_ModifiedDavidson.o
file name  ->  m_ES_WF_by_RMM.F90
23c23
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_es_wf_by_rmm.mod
file name  ->  m_ES_WF_by_RMM.o
file name  ->  m_ES_WF_by_SDorCG.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 443 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 443 $)
file name  ->  m_es_wf_by_sdorcg.mod
file name  ->  m_ES_WF_by_SDorCG.o
file name  ->  m_ES_WF_by_submat.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 513 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 513 $)
file name  ->  m_es_wf_by_submat.mod
file name  ->  m_ES_WF_by_submat.o
file name  ->  m_ES_wf_extrpl.F90
file name  ->  m_es_wf_extrpl.mod
file name  ->  m_ES_wf_extrpl.o
file name  ->  m_ES_WF_mixing.F90
file name  ->  m_es_wf_mixing.mod
file name  ->  m_ES_WF_mixing.o
file name  ->  meta_dynamics.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 500 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 500 $)
file name  ->  meta_dynamics.o
file name  ->  m_Excitation.F90
file name  ->  m_excitation.mod
file name  ->  m_Excitation.o
file name  ->  m_External_Potential.f90
file name  ->  m_external_potential.mod
file name  ->  m_External_Potential.o
file name  ->  m_Fcp.F90
file name  ->  m_fcp.mod
file name  ->  m_Fcp.o
file name  ->  m_FFT.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 481 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 481 $)
file name  ->  m_fft.mod
file name  ->  m_FFT.o
file name  ->  m_FFT_type1_jrcatfft.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type3_mklfft.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type4_fftw3_rev.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type5_aslfft.hybrid.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type5_aslfft.mpi.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type5_aslfft+mpifft.hybrid.f90
file name  ->  m_FFT_type5_aslfft+mpifft.mpi.f90
file name  ->  m_FFT_type6_jrcatfft+ifft.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type8_goedecker.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_FFT_type9_ffte.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_Files.F90
1778c1778
<     character(len=*),intent(in) :: tagname
---
>     character(len=10),intent(in) :: tagname
1824,1828c1824
<        if(len(tagname) <= 10) then
<           write(nfout,'(1x,a10,a3,a,a3,a)') tagname, " = ", trim(filename(1:ls))," , ",filestatus
<        else
<           write(nfout,'(1x,a,a3,a,a3,a)') trim(tagname), " = ", trim(filename(1:ls))," , ",filestatus
<        end if
---
>        write(nfout,*) tagname, " = ", trim(filename(1:ls))," , ",filestatus
1835c1831
<     character(len=*),intent(in) :: tagname
---
>     character(len=10),intent(in) :: tagname
1871,1875c1867
<        if(len(tagname)<=10) then
<           write(nfout,'(1x,a10,a3,a,a3,a)') tagname," = ",trim(filename(1:ls))," , ",filestatus
<        else
<           write(nfout,'(1x,a,a3,a,a3,a)') trim(tagname)," = ",trim(filename(1:ls))," , ",filestatus
<        end if
---
>        write(nfout,*) tagname," = ",trim(filename(1:ls))," , ",filestatus
file name  ->  m_files.mod
file name  ->  m_Files.o
file name  ->  m_FiniteElectricField.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_finiteelectricfield.mod
file name  ->  m_FiniteElectricField.o
file name  ->  m_Force_ep.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_Force.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 472 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 472 $)
file name  ->  m_force.mod
file name  ->  m_Force.o
file name  ->  m_fx_omega_pbe.mod
file name  ->  m_Hubbard.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_hubbard.mod
file name  ->  m_Hubbard.o
file name  ->  m_Ionic_System.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 552 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 552 $)
10626d10625
<     if(allocated(napt_prim)) then
10629c10628
<        if ( allocated( napt ) )  deallocate(napt)
---
>     if ( allocated( napt ) )  deallocate(napt)
10631,10635c10630,10631
<        allocate(napt(natm_prim,nopr+af))
<        napt = napt_prim
<     else
< !!$       write(6,'(" napt_prim is not defined")'); call flush(6)
<     end if
---
>     allocate(napt(natm_prim,nopr+af))
>     napt = napt_prim
file name  ->  m_ionic_system.mod
file name  ->  m_Ionic_System.o
file name  ->  miscellaneous.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  miscellaneous.o
file name  ->  m_IterationNumbers.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_iterationnumbers.mod
file name  ->  m_IterationNumbers.o
file name  ->  m_KE_mixing.F90
file name  ->  m_ke_mixing.mod
file name  ->  m_KE_mixing.o
file name  ->  m_KineticEnergy_Density.F90
file name  ->  m_kineticenergy_density.mod
file name  ->  m_KineticEnergy_Density.o
file name  ->  mklfft.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_Kpoints.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
file name  ->  m_kpoints.mod
file name  ->  m_Kpoints.o
file name  ->  m_Ldos.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 556 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 556 $)
file name  ->  m_ldos.mod
file name  ->  m_Ldos.o
file name  ->  m_LinearResponse_ALDA.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_alda.mod
file name  ->  m_LinearResponse_ALDA.o
file name  ->  m_LinearResponse_BS.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_bs.mod
file name  ->  m_LinearResponse_BS.o
file name  ->  m_LinearResponse_Control.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_control.mod
file name  ->  m_LinearResponse_Control.o
file name  ->  m_LinearResponse_Density.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_density.mod
file name  ->  m_LinearResponse_Density.o
file name  ->  m_LinearResponse_Kernel.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_kernel.mod
file name  ->  m_LinearResponse_Kernel.o
file name  ->  m_LinearResponse_NonInt.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_nonint.mod
file name  ->  m_LinearResponse_NonInt.o
file name  ->  m_LinearResponse_Qpt.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_qpt.mod
file name  ->  m_LinearResponse_Qpt.o
file name  ->  m_LinearResponse_Spectrum.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_spectrum.mod
file name  ->  m_LinearResponse_Spectrum.o
file name  ->  m_LinearResponse_Tools.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_linearresponse_tools.mod
file name  ->  m_LinearResponse_Tools.o
file name  ->  m_meta_dynamics.mod
file name  ->  m_mtrandom.mod
file name  ->  m_NonLocal_Potential.F90
4c4
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 532 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 532 $)
file name  ->  m_nonlocal_potential.mod
file name  ->  m_NonLocal_Potential.o
file name  ->  modificationhistory.txt
file name  ->  mod_timer.f90
file name  ->  m_OP_Moment.F90
file name  ->  m_op_moment.mod
file name  ->  m_OP_Moment.o
file name  ->  m_Orbital_Population.F90
file name  ->  m_orbital_population.mod
file name  ->  m_Orbital_Population.o
file name  ->  m_Orbital_QuantumNum.f90
file name  ->  m_orbital_quantumnum.mod
file name  ->  m_Orbital_QuantumNum.o
file name  ->  Move_Ions.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 555 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 555 $)
file name  ->  Move_Ions.o
file name  ->  m_Parallelization.F90
6c6
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 482 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 482 $)
file name  ->  m_parallelization.mod
file name  ->  m_Parallelization.o
file name  ->  m_PAW_ChargeDensity.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 488 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 488 $)
file name  ->  m_paw_chargedensity.mod
file name  ->  m_PAW_ChargeDensity.o
file name  ->  m_PAW_Hartree.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 556 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 556 $)
file name  ->  m_paw_hartree.mod
file name  ->  m_PAW_Hartree.o
file name  ->  m_PAW_Tecplot.f90
file name  ->  m_paw_tecplot.mod
file name  ->  m_PAW_Tecplot.o
file name  ->  m_PAW_XC_Potential.F90
file name  ->  m_paw_xc_potential.mod
file name  ->  m_PAW_XC_Potential.o
file name  ->  m_Phonon.F90
file name  ->  m_phonon.mod
file name  ->  m_Phonon.o
file name  ->  mpi_dummy.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 517 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 517 $)
file name  ->  mpi_dummy.o
file name  ->  mpifft.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_PlaneWaveBasisSet.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 481 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 481 $)
file name  ->  m_planewavebasisset.mod
file name  ->  m_PlaneWaveBasisSet.o
file name  ->  m_Positron_Wave_Functions.F90
file name  ->  m_positron_wave_functions.mod
file name  ->  m_Positron_Wave_Functions.o
file name  ->  m_Potential_Mixing.F90
file name  ->  m_potential_mixing.mod
file name  ->  m_Potential_Mixing.o
file name  ->  m_PseudoPotential.F90
6c6
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 552 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 552 $)
187,188c187,188
<   integer, parameter :: MAXIMUM_MPI_SIZE =   100000000
<   integer, parameter :: MAXIMUM_BCAST_SIZE = 20000000 !   200000000
---
>   integer, parameter :: MAXIMUM_MPI_SIZE = 100000000
>   integer, parameter :: MAXIMUM_BCAST_SIZE = 200000000
15044,15052c15044,15048
<       real(DP), allocatable,dimension(:,:,:,:) :: b_mpi
<       integer,  allocatable,dimension(:,:,:,:) :: bi_mpi
<       integer :: nsize, i, j, natm_d, iloop, is, ie
< 
<       call mpi_bcast(ipaw,ntyp,mpi_integer,0,mpi_comm_group,ierr)
<       call mpi_bcast(chgcr,ntyp,mpi_double_precision,0,mpi_comm_group,ierr)
<       call mpi_bcast(iltpw,ntyp,mpi_integer,0,mpi_comm_group,ierr)
<       call mpi_bcast(lppw,nltpw*ntyp,mpi_integer,0,mpi_comm_group,ierr)
<       call mpi_bcast(tppw,nltpw*ntyp,mpi_integer,0,mpi_comm_group,ierr)
---
>         call mpi_bcast(ipaw,ntyp,mpi_integer,0,mpi_comm_group,ierr)
>         call mpi_bcast(chgcr,ntyp,mpi_double_precision,0,mpi_comm_group,ierr)
>         call mpi_bcast(iltpw,ntyp,mpi_integer,0,mpi_comm_group,ierr)
>         call mpi_bcast(lppw,nltpw*ntyp,mpi_integer,0,mpi_comm_group,ierr)
>         call mpi_bcast(tppw,nltpw*ntyp,mpi_integer,0,mpi_comm_group,ierr)
15058,15111c15054,15080
<       call mpi_bcast(wf_nrc,nloc*ntau*ntyp,mpi_integer,0,mpi_comm_group,ierr)
<       call mpi_bcast(wf_mnrc,ntyp,mpi_integer,0,mpi_comm_group,ierr)
<       if(.not.flg_symmtry) then
<          call mpi_bcast(m_clmns_cijkclmk,1,mpi_integer,0,mpi_comm_group,ierr)
<          call mpi_bcast(n_cijkclmk,nlmt*nlmt*ntyp,mpi_integer,0,mpi_comm_group,ierr)
<          nsize = nlmt*nlmt*m_clmns_cijkclmk*ntyp
<          call mpi_bcast(CijkClmkVVVVijlm_k,    nsize, mpi_double_precision,0,mpi_comm_group,ierr)
<          call mpi_bcast(CijkClmkVVVVijlm_k_ae, nsize, mpi_double_precision,0,mpi_comm_group,ierr)
<          call mpi_bcast(ilmt3_cijkclmk,        nsize, mpi_integer,         0,mpi_comm_group,ierr)
<          call mpi_bcast(ilmt4_cijkclmk,        nsize, mpi_integer,         0,mpi_comm_group,ierr)
<       else
<          call mpi_bcast(m_clmns_cijkclmn,1,mpi_integer,0,mpi_comm_group,ierr)
<          call mpi_bcast(n_cijkclmn,nlmt*nlmt*natm*nopr,mpi_integer,0,mpi_comm_group,ierr)
<          nsize = nlmt*nlmt*m_clmns_cijkclmn*natm*nopr
<          if(nsize*8 > MAXIMUM_BCAST_SIZE) then
<             natm_d = max(1,min(MAXIMUM_BCAST_SIZE/(nlmt*nlmt*m_clmns_cijkclmn*nopr*8),natm))
<             allocate (b_mpi(nlmt,nlmt,m_clmns_cijkclmn,natm_d))
<             allocate (bi_mpi(nlmt,nlmt,m_clmns_cijkclmn,natm_d))
<             nsize = nlmt*nlmt*m_clmns_cijkclmn
<             do j = 1, nopr
<                is = 1; ie = natm_d
<                iloop = ceiling(dble(natm)/natm_d)
<                do i = 1, iloop
<                   if(mype==0) b_mpi(:,:,:,1:ie-is+1) = CijkClmnVVVVijlm_kn(:,:,:,is:ie,j)
<                   call mpi_bcast(b_mpi,nsize*(ie-is+1),mpi_double_precision,0,mpi_comm_group,ierr)
<                   if(mype/=0) CijkClmnVVVVijlm_kn(:,:,:,is:ie,j) = b_mpi(:,:,:,1:ie-is+1)
< 
<                   if(mype==0) b_mpi(:,:,:,1:ie-is+1) = CijkClmnVVVVijlm_kn_ae(:,:,:,is:ie,j)
<                   call mpi_bcast(b_mpi,nsize*(ie-is+1),mpi_double_precision,0,mpi_comm_group,ierr)
<                   if(mype/=0) CijkClmnVVVVijlm_kn_ae(:,:,:,is:ie,j) = b_mpi(:,:,:,1:ie-is+1)
< 
<                   if(mype==0) bi_mpi(:,:,:,1:ie-is+1) = ilmt3_cijkclmn(:,:,:,is:ie,j)
<                   call mpi_bcast(bi_mpi,nsize*(ie-is+1),mpi_integer,0,mpi_comm_group,ierr)
<                   if(mype/=0) ilmt3_cijkclmn(:,:,:,is:ie,j) = bi_mpi(:,:,:,1:ie-is+1)
< 
<                   if(mype==0) bi_mpi(:,:,:,1:ie-is+1) = ilmt4_cijkclmn(:,:,:,is:ie,j)
<                   call mpi_bcast(bi_mpi,nsize*(ie-is+1),mpi_integer,0,mpi_comm_group,ierr)
<                   if(mype/=0) ilmt4_cijkclmn(:,:,:,is:ie,j) = bi_mpi(:,:,:,1:ie-is+1)
<                   is = ie+1; ie = min(ie+natm_d,natm)
<                end do
<             end do
<             deallocate(bi_mpi)
<             deallocate(b_mpi)
<          else
<             call mpi_bcast(CijkClmnVVVVijlm_kn,   nsize, mpi_double_precision,0,mpi_comm_group,ierr)
<             call mpi_bcast(CijkClmnVVVVijlm_kn_ae,nsize, mpi_double_precision,0,mpi_comm_group,ierr)
<             call mpi_bcast(ilmt3_cijkclmn,        nsize, mpi_integer,0,mpi_comm_group,ierr)
<             call mpi_bcast(ilmt4_cijkclmn,        nsize, mpi_integer,0,mpi_comm_group,ierr)
<          end if
<       end if
<       call mpi_bcast(index_lmt2lt,nlmt*ntyp,mpi_integer,0,mpi_comm_group,ierr)
<       call mpi_bcast(dion_kin_ion,nlmt*nlmt*ntyp,mpi_double_precision,0,mpi_comm_group,ierr)
<       call mpi_bcast(dion_hartree,nlmt*nlmt*natm,mpi_double_precision,0,mpi_comm_group,ierr)
<       call mpi_bcast(dion_hartree_now,nlmt*nlmt*natm,mpi_double_precision,0,mpi_comm_group,ierr)
---
>         call mpi_bcast(wf_nrc,nloc*ntau*ntyp,mpi_integer,0,mpi_comm_group,ierr)
>         call mpi_bcast(wf_mnrc,ntyp,mpi_integer,0,mpi_comm_group,ierr)
>         if(.not.flg_symmtry) then
>             call mpi_bcast(n_cijkclmk,nlmt*nlmt*ntyp,mpi_integer,0,mpi_comm_group,ierr)
>             call mpi_bcast(CijkClmkVVVVijlm_k,nlmt*nlmt*m_clmns_cijkclmk*ntyp, &
>                                             mpi_double_precision,0,mpi_comm_group,ierr)
>             call mpi_bcast(CijkClmkVVVVijlm_k_ae,nlmt*nlmt*m_clmns_cijkclmk*ntyp, &
>                                             mpi_double_precision,0,mpi_comm_group,ierr)
>             call mpi_bcast(ilmt3_cijkclmk,nlmt*nlmt*m_clmns_cijkclmk*ntyp, &
>                                             mpi_integer,0,mpi_comm_group,ierr)
>             call mpi_bcast(ilmt4_cijkclmk,nlmt*nlmt*m_clmns_cijkclmk*ntyp, &
>                                             mpi_integer,0,mpi_comm_group,ierr)
>         else
>             call mpi_bcast(n_cijkclmn,nlmt*nlmt*natm*nopr,mpi_integer,0,mpi_comm_group,ierr)
>             call mpi_bcast(CijkClmnVVVVijlm_kn,nlmt*nlmt*m_clmns_cijkclmn*natm*nopr, &
>                                             mpi_double_precision,0,mpi_comm_group,ierr)
>             call mpi_bcast(CijkClmnVVVVijlm_kn_ae,nlmt*nlmt*m_clmns_cijkclmn*natm*nopr, &
>                                             mpi_double_precision,0,mpi_comm_group,ierr)
>             call mpi_bcast(ilmt3_cijkclmn,nlmt*nlmt*m_clmns_cijkclmn*natm*nopr, &
>                                             mpi_integer,0,mpi_comm_group,ierr)
>             call mpi_bcast(ilmt4_cijkclmn,nlmt*nlmt*m_clmns_cijkclmn*natm*nopr, &
>                                             mpi_integer,0,mpi_comm_group,ierr)
>         end if                           
>         call mpi_bcast(index_lmt2lt,nlmt*ntyp,mpi_integer,0,mpi_comm_group,ierr)
>         call mpi_bcast(dion_kin_ion,nlmt*nlmt*ntyp,mpi_double_precision,0,mpi_comm_group,ierr)
>         call mpi_bcast(dion_hartree,nlmt*nlmt*natm,mpi_double_precision,0,mpi_comm_group,ierr)
>         call mpi_bcast(dion_hartree_now,nlmt*nlmt*natm,mpi_double_precision,0,mpi_comm_group,ierr)
15116,15117c15085,15086
<       call mpi_bcast( dion_vxc, nlmt*nlmt*ndim_magmom*natm,mpi_double_precision,0,mpi_comm_group,ierr)
<       call mpi_bcast( dion_paw, nlmt*nlmt*ndim_magmom*natm,mpi_double_precision,0,mpi_comm_group,ierr)
---
>         call mpi_bcast( dion_vxc, nlmt*nlmt*ndim_magmom*natm,mpi_double_precision,0,mpi_comm_group,ierr)
>         call mpi_bcast( dion_paw, nlmt*nlmt*ndim_magmom*natm,mpi_double_precision,0,mpi_comm_group,ierr)
file name  ->  m_pseudopotential.mod
file name  ->  m_PseudoPotential.o
file name  ->  m_Raman.F90
file name  ->  m_raman.mod
file name  ->  m_Raman.o
file name  ->  m_Realspace.F90
file name  ->  m_realspace.mod
file name  ->  m_Realspace.o
file name  ->  m_Replica.f90
file name  ->  m_replica.mod
file name  ->  m_Replica.o
file name  ->  m_Representation.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_representation.mod
file name  ->  m_Representation.o
file name  ->  m_routines.mod
file name  ->  m_rttddft.f90
file name  ->  m_rttddft.mod
file name  ->  m_rttddft.o
file name  ->  m_Screening.f90
file name  ->  m_Screening_FFT.F90
file name  ->  m_screening_fft.mod
file name  ->  m_Screening_FFT.o
file name  ->  m_screening.mod
file name  ->  m_Screening.o
file name  ->  m_SpinOrbit_ForceTheorem.F90
file name  ->  m_spinorbit_forcetheorem.mod
file name  ->  m_SpinOrbit_ForceTheorem.o
file name  ->  m_SpinOrbit_FromFile.F90
file name  ->  m_spinorbit_fromfile.mod
file name  ->  m_SpinOrbit_FromFile.o
file name  ->  m_SpinOrbit_Potential.F90
file name  ->  m_spinorbit_potential.mod
file name  ->  m_SpinOrbit_Potential.o
file name  ->  m_SpinOrbit_RadInt.F90
file name  ->  m_spinorbit_radint.mod
file name  ->  m_SpinOrbit_RadInt.o
file name  ->  m_Stress.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 557 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 557 $)
file name  ->  m_stress.mod
file name  ->  m_Stress.o
file name  ->  m_ThomasFermiW_Potential.F90
file name  ->  m_thomasfermiw_potential.mod
file name  ->  m_ThomasFermiW_Potential.o
file name  ->  m_Timing.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_timing.mod
file name  ->  m_Timing.o
file name  ->  m_Total_Energy_ep.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  m_Total_Energy.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  m_total_energy.mod
file name  ->  m_Total_Energy.o
file name  ->  m_UnitCell.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 550 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 550 $)
file name  ->  m_unitcell.mod
file name  ->  m_UnitCell.o
file name  ->  m_ValenceBand_Spectrum.F90
file name  ->  m_valenceband_spectrum.mod
file name  ->  m_ValenceBand_Spectrum.o
file name  ->  m_variables_for_atoms.mod
file name  ->  m_variables_for_dynamics.mod
file name  ->  m_vdWDF.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 (rev.375)
---
> !  PROGRAM  PHASE/0 2014.01 (rev.375)
file name  ->  m_vdwdf.mod
file name  ->  m_vdWDF.o
file name  ->  m_velocity_verlet.mod
file name  ->  m_Wannier90.F90
6c6
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 110 $)
---
> !  PROGRAM  PHASE/0 2014.01 ($Rev: 110 $)
file name  ->  m_wannier90.mod
file name  ->  m_Wannier90.o
file name  ->  m_Wannier.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  m_wannier.mod
file name  ->  m_Wannier.o
file name  ->  m_XC_Potential.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 533 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 533 $)
file name  ->  m_xc_potential.mod
file name  ->  m_XC_Potential.o
file name  ->  NEB.F90
file name  ->  NEB.o
file name  ->  Nonlinear_Optics_Epsilon.f90
file name  ->  Nonlinear_Optics_Epsilon.o
file name  ->  PAW_cntrl.f90
file name  ->  plane_constraint.mod
file name  ->  Postprocessing.F90
255d254
<   logical :: Already_Converged
282,283c281
< !!$  call m_XC_cal_potential( nfout, Valence_plus_PC_Charge, chgq_l, VXC_AND_EXC )
< !!$
---
> 
380,383d377
<         if(Already_Converged) then
<            call m_XC_cal_potential(nfout,Valence_plus_PC_Charge,chgq_l, VXC_AND_EXC)  ! -> vxc_l, afft
<         end if
< 
file name  ->  Postprocessing.o
file name  ->  Potential_Construction.F90
file name  ->  Potential_Construction.o
file name  ->  Potential_Mixing.F90
file name  ->  Potential_Mixing.o
file name  ->  Preparation_ep.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Preparation.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 544 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 544 $)
file name  ->  Preparation_for_Calc_Epsilon.f90
file name  ->  Preparation_for_Calc_Epsilon.o
file name  ->  Preparation_for_ESM.F90
file name  ->  Preparation_for_ESM.o
file name  ->  Preparation_for_mpi.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  Preparation_for_mpi.o
file name  ->  Preparation.o
file name  ->  progress_bar.mod
file name  ->  PseudoPotential_Construction.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 518 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 518 $)
file name  ->  PseudoPotential_Construction.o
file name  ->  PseudoPotential_ek_Epsilon.f90
file name  ->  PseudoPotential_ek_Epsilon.o
file name  ->  Real_space_integ.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
70c70
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Real_space_integ.o
file name  ->  real_spherical_harmonics.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  real_spherical_harmonics.o
file name  ->  Renewal_of_ChgCtrlParam.f90
file name  ->  Renewal_of_ChgCtrlParam.o
file name  ->  Renewal_of_Hubbard_Parameters.f90
file name  ->  Renewal_of_Hubbard_Parameters.o
file name  ->  Renewal_of_Hubbard_Potential.f90
file name  ->  Renewal_of_Hubbard_Potential.o
file name  ->  Renewal_of_OccMat.F90
file name  ->  Renewal_of_OccMat.o
file name  ->  Renewal_of_Potential.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 542 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 542 $)
file name  ->  Renewal_of_Potential.o
file name  ->  Renewal_of_pPotential.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 472 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 472 $)
file name  ->  Renewal_of_pPotential.o
file name  ->  Renewal_of_pWaveFunctions.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 472 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 472 $)
file name  ->  Renewal_of_pWaveFunctions.o
file name  ->  Renewal_of_WaveFunctions.F90
4c4
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 512 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 512 $)
file name  ->  Renewal_of_WaveFunctions.o
file name  ->  Renew_WF_by_lmSDorlmCG.f90
file name  ->  Renew_WF_by_lmSDorlmCG_fc.f90
file name  ->  Reset_Kpoint.f90
file name  ->  Reset_Kpoint.o
file name  ->  rmmsubs.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  rmmsubs.o
file name  ->  rttddft_main.f90
file name  ->  rttddft_main.o
file name  ->  scf_routines.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  scf_routines.o
file name  ->  screening_correction.f90
file name  ->  screening_correction.o
file name  ->  Shift_Kpoint.f90
file name  ->  Shift_Kpoint.o
file name  ->  spg+tetra.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  spg+tetra.o
file name  ->  spline.F90
file name  ->  spline.o
file name  ->  srfft.F
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Stress.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  Stress.o
file name  ->  string.f90
file name  ->  stringmodule.mod
file name  ->  string.o
file name  ->  tdlrmain.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  tdlrmain.o
file name  ->  ThomasFermiWeiz.F90
file name  ->  ThomasFermiWeiz.o
file name  ->  Transition_moment_Epsilon.f90
file name  ->  Transition_moment_Epsilon.o
file name  ->  UnitaryTransform_WF.f90
file name  ->  UnitaryTransform_WF.o
file name  ->  vc_nl.F90
file name  ->  vc_nl.o
file name  ->  vdW.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 (rev.375)
---
> !  PROGRAM  PHASE/0 2015.01 (rev.375)
file name  ->  vdW.o
file name  ->  version.h
file name  ->  WriteDownData_onto_Files_ek.f90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 440 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 440 $)
file name  ->  WriteDownData_onto_Files_ek.o
file name  ->  WriteDownData_onto_Files_Epsilon.f90
file name  ->  WriteDownData_onto_Files_Epsilon.o
file name  ->  WriteDownData_onto_Files.F90
3c3
< !  PROGRAM  PHASE/0 2016.01 ($Rev: 550 $)
---
> !  PROGRAM  PHASE/0 2015.01 ($Rev: 550 $)
file name  ->  WriteDownData_onto_Files.o
file name  ->  z_dump.F90
file name  ->  z_interface_3D.F90
file name  ->  z_tool_timer.F90
