[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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