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Bug fix: ph.x with images was not working any more. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9252 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2012-08-05 09:39:33 +00:00
parent 703f80502e
commit ee3efbf909
3 changed files with 17 additions and 10 deletions
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20
PHonon/PH/check_initial_status.f90
View File

@ -186,8 +186,8 @@ SUBROUTINE check_initial_status(auxdyn)
lgamma = ( x_q(1,iq) == 0.D0 .AND. x_q(2,iq) == 0.D0 .AND. &
x_q(3,iq) == 0.D0 )
!
! ... each q /= gamma works on a different directory. We create them
! here and copy the charge density inside
! ... with lqdir=.true. each q /= gamma works on a different directory.
! We create them here and copy the charge density inside
!
IF ((.NOT.lgamma.OR. newgrid).AND.lqdir) THEN
tmp_dir_phq= TRIM (tmp_dir_ph) //TRIM(prefix)//&
@ -366,7 +366,7 @@ SUBROUTINE check_initial_status(auxdyn)
! directories and created by the diffent images in the phsave directory
! of the image 0
!
USE io_files, ONLY : tmp_dir, xmlpun, prefix
USE io_files, ONLY : tmp_dir, xmlpun_base, prefix
USE control_ph, ONLY : tmp_dir_ph
USE save_ph, ONLY : tmp_dir_save
USE disp, ONLY : nqs, comp_irr_iq, rep_iq
@ -389,15 +389,17 @@ SUBROUTINE check_initial_status(auxdyn)
DO iq=1,nqs
DO irr=0, rep_iq(iq)
IF (comp_irr_iq(irr,iq)==1.and.ionode) THEN
file_input=TRIM( tmp_dir_ph ) // &
& TRIM( prefix ) // '.phsave' // '/' // TRIM( xmlpun ) &
file_input=TRIM( tmp_dir_ph ) // '/' // &
& TRIM( prefix ) // '.phsave/' // &
& TRIM( xmlpun_base ) &
& // '.' // TRIM(int_to_char(iq))&
& // '.' // TRIM(int_to_char(irr))
& // '.' // TRIM(int_to_char(irr)) // '.xml'
file_output=TRIM( tmp_dir_save ) // '/' // '_ph0' // &
& TRIM( prefix ) // '.phsave' // '/' // TRIM( xmlpun ) &
file_output=TRIM( tmp_dir_save ) // '/_ph0/' // &
& TRIM( prefix ) // '.phsave/' // &
& TRIM( xmlpun_base ) &
& // '.' // TRIM(int_to_char(iq))&
& // '.' // TRIM(int_to_char(irr))
& // '.' // TRIM(int_to_char(irr)) // '.xml'
INQUIRE (FILE = TRIM(file_input), EXIST = exst)
IF (exst) CALL copy_file(file_input, file_output)

1
PHonon/PH/dynmatrix.f90
View File

@ -138,6 +138,7 @@ subroutine dynmatrix(iq_)
RETURN
ENDIF
ENDDO
ldiag_loc=.TRUE.
ENDIF
!
! Generates the star of q

6
PHonon/PH/phq_setup.f90
View File

@ -550,7 +550,11 @@ subroutine phq_setup
!
! Initialize done_irr, find max dimension of the irreps
!
all_comp = nat_todo.eq.nat.or.lgamma_gamma
all_comp=.true.
DO irr=1,nirr
IF (comp_irr(irr)==0) all_comp=.false.
ENDDO
all_comp = all_comp.OR.lgamma_gamma
all_done = .FALSE.
npertx = 0
done_irr = 0