[Wien] Strcut file: for crystal structures other than cubic.

Neerja neerja at ipr.res.in
Thu Nov 13 21:03:18 CET 2003


Dear All, 
Once I had asked, to make struct file for any system, we should know
co-ordinates of atoms in the system and is there any facility with WIEN2k,
by using that, we can get co-ordinates than I got this answer that
co-ordinates, we have to take somewhere else....


Now the question is, if we take co-ordinates from somewhere else, WIEN2k
have any facility, which will make them compaitable with code or what are
the constraints??  by using them, WEIN2k will make them compatible.

Or, what changes we have to make, for using that co-ordinates with WIEN2k.


Regards
Neerja

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Dr. Neerja			             
Post Doctoral Fellow
Pulsed Power Group
Institue of Plasma Research (IPR)
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Ph:079-3969001(1-15,31-35)Ext. 308 
Alt. E-mail:neerja_kaku at yahoo.com

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