Introduced the possibility to stop (with max_seconds) and restart a band calculation.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3224 c92efa57-630b-4861-b058-cf58834340f0

Modules/read_namelists.f90

@@ -1587,7 +1587,11 @@ MODULE read_namelists_module
                calculation == 'phonon' ) THEN
              !
              startingpot = 'file'
-             startingwfc = 'atomic'
+             IF (restart_mode == "restart") THEN
+                startingwfc = 'file'
+             ELSE
+                startingwfc = 'atomic'
+             END IF
              !
           ELSE IF ( restart_mode == "from_scratch" ) THEN
              !

PW/c_bands.f90

@@ -395,6 +395,7 @@ SUBROUTINE c_bands( iter, ik_, dr2 )
        !
        USE becmod,              ONLY : becp, becp_nc
        USE complex_diis_module, ONLY : cdiisg
+       USE check_stop,          ONLY : check_stop_now
        !
        IMPLICIT NONE
        !
@@ -747,6 +748,9 @@ SUBROUTINE c_bands( iter, ik_, dr2 )
           !
           CALL save_in_cbands( iter, ik, dr2 )
           !
+          IF ( .not.lscf) THEN
+             IF (check_stop_now() ) call stop_run(.FALSE.)
+          ENDIF
        END DO k_loop
        !
        ik_ = 0

PW/electrons.f90

@@ -204,7 +204,9 @@ SUBROUTINE electrons()
   !
   DO idum = 1, niter
      !
-     IF ( check_stop_now() ) RETURN
+     IF (idum > 1) THEN
+        IF ( check_stop_now() ) RETURN
+     END IF
      !  
      iter = iter + 1
      !
@@ -268,7 +270,9 @@ SUBROUTINE electrons()
            !
         END IF
         !
-        IF ( check_stop_now() ) RETURN
+        IF (iter > 1) THEN
+           IF ( check_stop_now() ) RETURN
+        END IF
         !
         CALL sum_band()
         !