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Bug fix: problem in the character table of C_4h double group. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5524 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2009-04-20 11:59:04 +00:00
parent 637d9c4d0d
commit 0ba0d1e7f2
1 changed files with 2 additions and 2 deletions
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4
PW/divide_class_so.f90
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@ -438,9 +438,9 @@ ELSEIF (code_group==18) THEN
which_irr(iclass)=set_e(has_e(1,iclass),13)
ELSEIF (ts==6) THEN
IF (angle_rot_s(smat(1,1,elem(1,iclass)))-90.d0<eps) THEN
which_irr(iclass)=set_e(has_e(1,iclass),11)
ELSE
which_irr(iclass)=set_e(has_e(1,iclass),15)
ELSE
which_irr(iclass)=set_e(has_e(1,iclass),11)
END IF
ELSE
CALL errore('divide_class_so','wrong operation',1)