Commit 2b0d8afb authored by Gregor Michalicek's avatar Gregor Michalicek

Bugfix: temporary translation vector in spg_gen had wrong sign.

This lead to wrong symmetry operations
parent 852c87fa
......@@ -245,7 +245,7 @@
j = 1
DO i = 1, nat
IF (ity(i).NE.ity(j)) CYCLE
tr(1:3) = pos(1:3,j) - posr(1:3,i)
tr(1:3) = posr(1:3,i) - pos(1:3,j)
tr(1:3) = tr(1:3) - anint(tr(1:3) - eps7)
maxTrVecs = maxTrVecs + 1
trVecs(:,maxTrVecs) = tr(:)
......
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