Stop the code if band groups requested for hybrids

DFPT_kernel/make.depend

@@ -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

Wfreq/make.depend

@@ -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

Wfreq/wfreq_readin.f90

 !
-! 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
   !

Wstat/make.depend

@@ -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

Wstat/wstat_readin.f90

 !
-! 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
   !