Commit 99bb2a17 authored by Victor Yu's avatar Victor Yu

Stop the code if band groups requested for hybrids

parent 0649ba8f
......@@ -7,13 +7,9 @@ apply_sternheimerop_to_m_wfcs.o : ../../Modules/uspp.o
apply_sternheimerop_to_m_wfcs.o : ../../Modules/wavefunctions.o
apply_sternheimerop_to_m_wfcs.o : ../../PW/src/pwcom.o
apply_sternheimerop_to_m_wfcs.o : ../Modules/westcom.o
dfpt_module.o : ../../FFTXlib/fft_interfaces.o
dfpt_module.o : ../../Modules/cell_base.o
dfpt_module.o : ../../Modules/constants.o
dfpt_module.o : ../../Modules/control_flags.o
dfpt_module.o : ../../Modules/fft_base.o
dfpt_module.o : ../../Modules/gvecw.o
dfpt_module.o : ../../Modules/io_files.o
dfpt_module.o : ../../Modules/io_global.o
dfpt_module.o : ../../Modules/kind.o
dfpt_module.o : ../../Modules/mp.o
......@@ -28,6 +24,8 @@ dfpt_module.o : ../../PW/src/pwcom.o
dfpt_module.o : ../FFT_kernel/fft_at_gamma.o
dfpt_module.o : ../FFT_kernel/fft_at_k.o
dfpt_module.o : ../Modules/westcom.o
dfpt_module.o : ../Para_kernel/class_idistribute.o
dfpt_module.o : ../Para_kernel/distribution_center.o
dfpt_module.o : ../Tools/bar.o
dfpt_module.o : ../Tools/io_push.o
dfpt_module.o : ../Tools/types_bz_grid.o
......
......@@ -204,11 +204,8 @@ wfreq.o : ../../Modules/mp.o
wfreq.o : ../../Modules/mp_global.o
wfreq.o : ../Modules/westcom.o
wfreq.o : ../Tools/west_environment.o
wfreq_readin.o : ../../Modules/io_files.o
wfreq_readin.o : ../../Modules/io_global.o
wfreq_readin.o : ../../Modules/ions_base.o
wfreq_readin.o : ../../Modules/mp.o
wfreq_readin.o : ../../Modules/noncol.o
wfreq_readin.o : ../../Modules/funct.o
wfreq_readin.o : ../../Modules/mp_bands.o
wfreq_readin.o : ../../Modules/recvec.o
wfreq_readin.o : ../../Modules/uspp.o
wfreq_readin.o : ../../PW/src/pwcom.o
......
!
! Copyright (C) 2015-2017 M. Govoni
! Copyright (C) 2015-2017 M. Govoni
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
......@@ -7,47 +7,38 @@
!
! This file is part of WEST.
!
! Contributors to this file:
! Contributors to this file:
! Marco Govoni
!
!-----------------------------------------------------------------------
SUBROUTINE wfreq_readin()
!-----------------------------------------------------------------------
!
USE ions_base, ONLY : nat
USE uspp, ONLY : okvan
USE io_files, ONLY : tmp_dir, prefix
USE io_global, ONLY : stdout
USE noncollin_module, ONLY : noncolin
USE mp, ONLY : mp_bcast
USE gvecs, ONLY : doublegrid
USE spin_orb, ONLY : domag
USE mp_bands, ONLY : nbgrp
USE funct, ONLY : dft_is_hybrid
!
IMPLICIT NONE
!
! Workspace
!
INTEGER :: iunit =5, ios
!
CALL start_clock('wfreq_readin')
!
!CALL fetch_namelist(3,(/1,2,3/))
!
! READ INPUT_WEST
!
CALL fetch_input_yml(1,(/1/),.TRUE.,.FALSE.)
!
! read the input file produced by the pwscf program
! allocate memory and recalculate what is needed
! read the input file produced by the pwscf program
! allocate memory and recalculate what is needed
!
!CALL read_file( )
CALL read_pwout( )
!
! PW checks
!
IF (domag) CALL errore('wfreq_readin','domag version not available',1)
IF (okvan) CALL errore('wfreq_readin','ultrasoft pseudopotential not implemented',1)
IF (doublegrid) CALL errore('wfreq_readin', 'double grid not implemented',1)
IF (doublegrid) CALL errore('wfreq_readin','double grid not implemented',1)
IF (nbgrp > 1 .AND. dft_is_hybrid()) CALL errore('wfreq_readin','band groups not implemented for hybrids',1)
!
! READ other sections of the input file
!
......
......@@ -43,6 +43,7 @@ wstat_memory_report.o : ../../Modules/control_flags.o
wstat_memory_report.o : ../../Modules/fft_base.o
wstat_memory_report.o : ../../Modules/io_global.o
wstat_memory_report.o : ../../Modules/kind.o
wstat_memory_report.o : ../../Modules/mp_bands.o
wstat_memory_report.o : ../../Modules/mp_world.o
wstat_memory_report.o : ../../Modules/noncol.o
wstat_memory_report.o : ../../Modules/recvec.o
......@@ -51,15 +52,12 @@ wstat_memory_report.o : ../../PW/src/pwcom.o
wstat_memory_report.o : ../Libraries/Json/json_module.o
wstat_memory_report.o : ../Modules/westcom.o
wstat_memory_report.o : ../Para_kernel/distribution_center.o
wstat_readin.o : ../../Modules/io_files.o
wstat_readin.o : ../../Modules/io_global.o
wstat_readin.o : ../../Modules/ions_base.o
wstat_readin.o : ../../Modules/mp.o
wstat_readin.o : ../../Modules/mp_world.o
wstat_readin.o : ../../Modules/noncol.o
wstat_readin.o : ../../Modules/funct.o
wstat_readin.o : ../../Modules/mp_bands.o
wstat_readin.o : ../../Modules/recvec.o
wstat_readin.o : ../../Modules/uspp.o
wstat_readin.o : ../../PW/src/pwcom.o
wstat_readin.o : ../Modules/westcom.o
wstat_restart.o : ../../Modules/io_files.o
wstat_restart.o : ../../Modules/io_global.o
wstat_restart.o : ../../Modules/kind.o
......
!
! Copyright (C) 2015-2017 M. Govoni
! Copyright (C) 2015-2017 M. Govoni
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
......@@ -7,48 +7,42 @@
!
! This file is part of WEST.
!
! Contributors to this file:
! Contributors to this file:
! Marco Govoni
!
!-----------------------------------------------------------------------
SUBROUTINE wstat_readin()
!-----------------------------------------------------------------------
!
USE ions_base, ONLY : nat
USE uspp, ONLY : okvan
USE io_files, ONLY : tmp_dir, prefix
USE io_global, ONLY : stdout
USE noncollin_module, ONLY : noncolin
USE mp, ONLY : mp_bcast
USE mp_world, ONLY : nproc,mpime,root
USE gvecs, ONLY : doublegrid
USE spin_orb, ONLY : domag
USE mp_bands, ONLY : nbgrp
USE funct, ONLY : dft_is_hybrid
USE westcom, ONLY : l_kinetic_only
!
IMPLICIT NONE
!
! Workspace
!
INTEGER :: iunit =5, ios
!
CALL start_clock('wstat_readin')
!
!CALL fetch_namelist(2,(/1,2/))
!
! READ INPUT_WEST
!
CALL fetch_input_yml(1,(/1/),.TRUE.,.FALSE.)
!
! read the input file produced by the pwscf program
! allocate memory and recalculate what is needed
! read the input file produced by the pwscf program
! allocate memory and recalculate what is needed
!
!CALL read_file( )
CALL read_pwout( )
!
! PW checks
!
IF (domag) CALL errore('wstat_readin','domag version not available',1)
IF (okvan) CALL errore('wstat_readin','ultrasoft pseudopotential not implemented',1)
IF (doublegrid) CALL errore('wstat_readin', 'double grid not implemented',1)
IF (doublegrid) CALL errore('wstat_readin','double grid not implemented',1)
IF (nbgrp > 1) THEN
IF (dft_is_hybrid()) CALL errore('wstat_readin','band groups not implemented for hybrids',1)
IF (l_kinetic_only) CALL errore('wstat_readin','band groups not implemented for kinetic only',1)
ENDIF
!
! READ other sections of the input file
!
......
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