[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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