From fd73966324fe75f941566a71059bf5e94ba597d2 Mon Sep 17 00:00:00 2001 From: dalcorso Date: Tue, 23 Nov 2010 09:34:17 +0000 Subject: [PATCH] Bug fix: a problem with the routine that symmetrizes the quantization axis in the noncollinear/GGA case. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7238 c92efa57-630b-4861-b058-cf58834340f0 --- PW/symme.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/PW/symme.f90 b/PW/symme.f90 index 9b2652fee..412fb5314 100644 --- a/PW/symme.f90 +++ b/PW/symme.f90 @@ -200,10 +200,10 @@ CONTAINS segno=1.0_DP IF (sname(isym)(1:3)=='inv') segno=-1.0_DP IF (t_rev(isym)==1) segno=-1.0_DP*segno - work (:) = work (:) + segno * & + work (:) = work (:) + segno * ( & s (:, 1, isym) * vect (1) + & s (:, 2, isym) * vect (2) + & - s (:, 3, isym) * vect (3) + s (:, 3, isym) * vect (3) ) enddo work=work/nsym !