[Q-e-commits] espresso/PH ph_restart.f90, 1.10, 1.11 phq_setup.f90, 1.55, 1.56

[dalcorso at qe-forge.org]

Update of /cvsroot/q-e/espresso/PH
In directory qeforge.qe-forge.org:/tmp/cvs-serv12574/espresso/PH

Modified Files:
	ph_restart.f90 phq_setup.f90 
Log Message:
The symmetry types of the modes are written in the recover files.


Index: ph_restart.f90
===================================================================
RCS file: /cvsroot/q-e/espresso/PH/ph_restart.f90,v
retrieving revision 1.10
retrieving revision 1.11
diff -u -d -r1.10 -r1.11
--- ph_restart.f90	6 Mar 2009 08:17:06 -0000	1.10
+++ ph_restart.f90	4 May 2009 15:19:06 -0000	1.11
@@ -170,7 +170,7 @@
       CONTAINS
       
          SUBROUTINE write_partial_ph()
-            USE modes, ONLY : nirr, npert, u
+            USE modes, ONLY : nirr, npert, u, name_rap_mode
             USE partial, ONLY : done_irr
             USE control_ph, ONLY : current_iq, epsil, trans, elph, zue, lgamma,&
                                    where_rec, rec_code
@@ -197,6 +197,8 @@
                DO irr=1,nirr
                   CALL iotk_write_dat(iunpun,"NUMBER_OF_PERTURBATIONS",&
                                          npert(irr))
+                  CALL iotk_write_dat(iunpun,"SYMMETRY_TYPE",&
+                                         name_rap_mode(irr))
                   DO ipert=1,npert(irr)
                      imode=imode0+ipert
                      CALL iotk_write_dat(iunpun,"DISPLACEMENT_PATTERN",&
@@ -646,7 +648,7 @@
 
     SUBROUTINE read_u( dirname, ierr )
 
-    USE modes, ONLY : nirr, npert, u
+    USE modes, ONLY : nirr, npert, u, name_rap_mode
     USE control_ph, ONLY : current_iq, epsil, trans, elph, zue, lgamma, &
                            where_rec, rec_code
     USE ramanm,  ONLY : lraman, elop, ramtns, eloptns
@@ -694,6 +696,7 @@
           DO irr=0,nirr
              IF (irr > 0) THEN
                 CALL iotk_scan_dat(iunpun,"NUMBER_OF_PERTURBATIONS", npert(irr))
+                CALL iotk_scan_dat(iunpun,"SYMMETRY_TYPE", name_rap_mode(irr))
                 DO ipert=1,npert(irr)
                    imode=imode0+ipert
                    CALL iotk_scan_dat(iunpun,"DISPLACEMENT_PATTERN",u(:,imode))

Index: phq_setup.f90
===================================================================
RCS file: /cvsroot/q-e/espresso/PH/phq_setup.f90,v
retrieving revision 1.55
retrieving revision 1.56
diff -u -d -r1.55 -r1.56
--- phq_setup.f90	11 Mar 2009 13:35:39 -0000	1.55
+++ phq_setup.f90	4 May 2009 15:19:06 -0000	1.56
@@ -365,7 +365,7 @@
         END DO
         CALL find_group(nsym_is,sr_is,gname_is,code_group_is)
      ENDIF
-     IF (.not.lgamma_gamma.and.modenum==0) &
+     IF (.not.lgamma_gamma.and.modenum==0.and.rec_code<=0) &
               CALL find_mode_sym (u, w2, at, bg, nat, nsymq, &
                         s, irt, xq, rtau, pmass, ntyp, ityp, 0)
   ENDIF