[Wien] The description of case.energy

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Dec 14 07:46:53 CET 2009


This file is so DIFFICULT, that a description is not really needed.
Compare this file with case.output1 and "guess" what these numbers could be
(in particular when the name of the file is "case.energy".

155220089 schrieb:
> Dear all,
> 
>  
> 
> I want to learn  detail information about the output file case.energy. 
> But I can't find it in the wien2k usersguide.
> 
> Can anybody give me a detail description of case.energy like the example 
> of case.struct in the usersguide.
> 
>  
> 
>  
> 
>  
> 
>  
> 
> Best wishes!
> 
> An zhou 
> 
> 
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> 
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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