- Bug fix, pseudopot interpolation table.

Thanks to Axel and Andrea Ferretti git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4813 c92efa57-630b-4861-b058-cf58834340f0
2008-04-16 12:40:31 +00:00 · 2008-04-16 12:40:31 +00:00 · 1086301b6f
parent b8ee546cd0
commit 1086301b6f
1 changed files with 11 additions and 4 deletions
--- a/CPV/pseudopot_sub.f90
+++ b/CPV/pseudopot_sub.f90
@ -1099,10 +1099,17 @@
      gg  = MAXVAL( g( 1:ngw ) )
      gg  = gg * tpiba2 / refg
      !
-      ggb = MAXVAL( gb( 1:ngb ) )
-      ggb = ggb * tpibab * tpibab / refg
-      !
-      gmax = MAX( gg, ggb )
+      IF( ALLOCATED( gb ) ) THEN
+         !
+         ggb = MAXVAL( gb( 1:ngb ) )
+         ggb = ggb * tpibab * tpibab / refg
+         gmax = MAX( gg, ggb )
+         !
+      ELSE
+         !
+         gmax = gg
+         !
+      END IF
      !
      CALL mp_max( gmax, intra_image_comm )
      !