[Q-e-commits] espresso/PH dynmatrix.f90, 1.40, 1.41 openfilq.f90, 1.30, 1.31
dalcorso at qe-forge.org
dalcorso at qe-forge.org
Thu May 14 16:43:04 CEST 2009
Update of /cvsroot/q-e/espresso/PH
In directory qeforge.qe-forge.org:/tmp/cvs-serv9627/espresso/PH
Modified Files:
dynmatrix.f90 openfilq.f90
Log Message:
Small change. When start_irr==0 and last_irr==0 ph.x does not write the
empty dynamical matrix files.
Index: dynmatrix.f90
===================================================================
RCS file: /cvsroot/q-e/espresso/PH/dynmatrix.f90,v
retrieving revision 1.40
retrieving revision 1.41
diff -u -d -r1.40 -r1.41
--- dynmatrix.f90 11 Mar 2009 13:35:39 -0000 1.40
+++ dynmatrix.f90 14 May 2009 14:43:02 -0000 1.41
@@ -31,7 +31,8 @@
USE gamma_gamma, ONLY : nasr, asr, equiv_atoms, has_equivalent, &
n_diff_sites
USE efield_mod, ONLY : epsilon, zstareu, zstarue0
- USE control_ph, ONLY : epsil, zue, lgamma_gamma, search_sym, ldisp
+ USE control_ph, ONLY : epsil, zue, lgamma_gamma, search_sym, ldisp, &
+ start_irr, last_irr
USE partial, ONLY : all_comp, comp_irr, done_irr
USE units_ph, ONLY : iudyn
USE ramanm, ONLY: lraman, ramtns
@@ -49,6 +50,8 @@
real(DP), allocatable :: zstar(:,:,:)
integer :: icart, jcart
!
+ IF (start_irr==0.and.last_irr==0) RETURN
+ !
call start_clock('dynmatrix')
!
! set all noncomputed elements to zero
Index: openfilq.f90
===================================================================
RCS file: /cvsroot/q-e/espresso/PH/openfilq.f90,v
retrieving revision 1.30
retrieving revision 1.31
diff -u -d -r1.30 -r1.31
--- openfilq.f90 7 May 2009 07:21:39 -0000 1.30
+++ openfilq.f90 14 May 2009 14:43:02 -0000 1.31
@@ -20,7 +20,7 @@
lrdrhous, lrebar, lrdrho
USE io_files, ONLY : tmp_dir
USE control_ph, ONLY : epsil, zue, recover, trans, elph, lgamma, &
- tmp_dir_ph
+ tmp_dir_ph, start_irr, last_irr
USE save_ph, ONLY : tmp_dir_save
USE qpoint, ONLY : nksq
USE output, ONLY : fildyn, fildvscf
@@ -120,7 +120,7 @@
GOTO 400
ENDIF
- IF (trans.OR.elph) THEN
+ IF ((trans.AND.(start_irr/=0.OR.last_irr/=0)).OR.elph) THEN
iudyn = 26
OPEN (unit=iudyn, file=fildyn, status='unknown', err=100, iostat=ios)
100 CALL errore ('openfilq', 'opening file'//fildyn, ABS (ios) )
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