Dear Prof Blaha and wien2k user
I am doing volume optimization for a tetragonal structure. First I have
done volume optimization along with force minimization.Then I am doing c/a
optimization for each volume(-4,-2,0,+2,+4).While doing c/a optimization
along with force minimization for -4%, -2% and
I don't think you should rotate yourself.
Look into case.struct (or outputsymso) to see the local rotation matrix.
This matrix defines the coordinate system with respect to the global
crystalline one.
And your vorb files are taken in this local coordinate system.
So if rotloc is
0 0 1
0 1 0
1 0
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