[Wien] how can I give rotation to an atom to go to local coordinates from global coordinates from wien2k package of version 2007????

[Peter Blaha]

Update to the latest WIEN2k version. There is a program "qtl", which 
lets you define the coordinate system as you like.

Am 28.10.2010 18:38, schrieb santu baidya:
> Dear all,
>                 I am doing SO calculation  using wien2k package of
> version 2007 for a compound which is distorted. I want to plot  m
> projected density of states for atoms. But for this I have to set local
> coordinates for the atoms. According to user guide of wien2k  the local
> rotations are automatically given in case.struct_st file. But I am
> finding the all unit matrices in the file. So could you please suggest
> me anything so that I can find out m projected density of states with
> local coordinates. Thanking you.
>                                                                                                              Santu Baidya
>                                                                                                                SNBNCBS, JRF
>                                                                                                                kolkata
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671