mirror of https://gitlab.com/QEF/q-e.git
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
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@ -186,8 +186,8 @@ SUBROUTINE check_initial_status(auxdyn)
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lgamma = ( x_q(1,iq) == 0.D0 .AND. x_q(2,iq) == 0.D0 .AND. &
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x_q(3,iq) == 0.D0 )
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!
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! ... each q /= gamma works on a different directory. We create them
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! here and copy the charge density inside
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! ... with lqdir=.true. each q /= gamma works on a different directory.
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! We create them here and copy the charge density inside
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!
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IF ((.NOT.lgamma.OR. newgrid).AND.lqdir) THEN
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tmp_dir_phq= TRIM (tmp_dir_ph) //TRIM(prefix)//&
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@ -366,7 +366,7 @@ SUBROUTINE check_initial_status(auxdyn)
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! directories and created by the diffent images in the phsave directory
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! of the image 0
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!
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USE io_files, ONLY : tmp_dir, xmlpun, prefix
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USE io_files, ONLY : tmp_dir, xmlpun_base, prefix
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USE control_ph, ONLY : tmp_dir_ph
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USE save_ph, ONLY : tmp_dir_save
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USE disp, ONLY : nqs, comp_irr_iq, rep_iq
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@ -389,15 +389,17 @@ SUBROUTINE check_initial_status(auxdyn)
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DO iq=1,nqs
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DO irr=0, rep_iq(iq)
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IF (comp_irr_iq(irr,iq)==1.and.ionode) THEN
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file_input=TRIM( tmp_dir_ph ) // &
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& TRIM( prefix ) // '.phsave' // '/' // TRIM( xmlpun ) &
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file_input=TRIM( tmp_dir_ph ) // '/' // &
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& TRIM( prefix ) // '.phsave/' // &
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& TRIM( xmlpun_base ) &
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& // '.' // TRIM(int_to_char(iq))&
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& // '.' // TRIM(int_to_char(irr))
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& // '.' // TRIM(int_to_char(irr)) // '.xml'
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file_output=TRIM( tmp_dir_save ) // '/' // '_ph0' // &
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& TRIM( prefix ) // '.phsave' // '/' // TRIM( xmlpun ) &
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file_output=TRIM( tmp_dir_save ) // '/_ph0/' // &
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& TRIM( prefix ) // '.phsave/' // &
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& TRIM( xmlpun_base ) &
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& // '.' // TRIM(int_to_char(iq))&
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& // '.' // TRIM(int_to_char(irr))
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& // '.' // TRIM(int_to_char(irr)) // '.xml'
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INQUIRE (FILE = TRIM(file_input), EXIST = exst)
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IF (exst) CALL copy_file(file_input, file_output)
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@ -138,6 +138,7 @@ subroutine dynmatrix(iq_)
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RETURN
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ENDIF
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ENDDO
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ldiag_loc=.TRUE.
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ENDIF
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!
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! Generates the star of q
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@ -550,7 +550,11 @@ subroutine phq_setup
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!
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! Initialize done_irr, find max dimension of the irreps
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!
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all_comp = nat_todo.eq.nat.or.lgamma_gamma
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all_comp=.true.
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DO irr=1,nirr
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IF (comp_irr(irr)==0) all_comp=.false.
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ENDDO
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all_comp = all_comp.OR.lgamma_gamma
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all_done = .FALSE.
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npertx = 0
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done_irr = 0
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