From e23e877962f6accc3d15d96121fabd7bce0705ac Mon Sep 17 00:00:00 2001 From: dalcorso Date: Sun, 22 Aug 2010 22:10:30 +0000 Subject: [PATCH] Avoid a possible out of bound error when the mode symmetry analysis fails (This should not happen). git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7006 c92efa57-630b-4861-b058-cf58834340f0 --- PH/find_mode_sym.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/PH/find_mode_sym.f90 b/PH/find_mode_sym.f90 index cae202dbd..194dc751b 100644 --- a/PH/find_mode_sym.f90 +++ b/PH/find_mode_sym.f90 @@ -170,7 +170,7 @@ SUBROUTINE find_mode_sym (u, w2, at, bg, tau, nat, nsym, sr, irt, xq, & name_rap_mode(igroup)=name_rap(irap) counter_s=counter DO imode=counter_s, counter_s+NINT(DBLE(char_mat(irap,1)))-1 - num_rap_mode(imode) = irap + IF (imode <= 3*nat) num_rap_mode(imode) = irap counter=counter+1 ENDDO ELSE @@ -182,7 +182,7 @@ SUBROUTINE find_mode_sym (u, w2, at, bg, tau, nat, nsym, sr, irt, xq, & counter_s=counter DO imode=counter_s, counter_s+NINT(DBLE(times))*& NINT(DBLE(char_mat(irap,1)))-1 - num_rap_mode(imode) = irap + IF (imode <= 3 * nat) num_rap_mode(imode) = irap counter=counter+1 ENDDO END IF