[Wien] local coordinate or global coordinate?

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Wed Nov 14 12:11:43 CET 2007


Dear P.Blaha,
   Thank you. i.e. the partial density of states are plot according to the 
local coordiante, and i can know the lcoal coordinate according to 
the local rotation matrices and global coordinate, right?
                                                          yours sincerely,
                                                               hongxia
Of course in the local coordinate system.
                                                            P.Blaha
yxl at email.jlu.edu.cn schrieb:
> 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. 



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