[Wien] local coordinate or global coordinate?
yxl@email.jlu.edu.cn
yxl at email.jlu.edu.cn
Tue Nov 13 08:18:41 CET 2007
Dear users,
We know the parameter 'isplit' in case.struct file is used to specify
the decomposition of lm-like charges into irreducible representations,
this is should be generate according to symmety.For example the d
orbitals are all separated if ISPLIT= 5, then in qtl files there are dz2,dx2y2,dxy,dxz,dyz orbitals.I want to know in which coordinate are
these separated orbtitals written, local coordinate or global coordinate?
I have read the userguide but there is no clear answer.
yours sincerely,
hongxia
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