[Wien] vol_optimization

Kulkova S.E. kulkova at ms.tsc.ru
Thu Dec 4 14:04:17 CET 2003


Dear Users, 

Thank you for several reply but you did not understand correct the question. 
Daniil wrote about curve which you can see using preview energy curve. 
Gmax  is enough large 14-20 in dependence of case.  
We have such situation in LDA InP and  GGA in one Heusler alloy.
If I use my program for E(V) interpolation the curve looks OK. 
The Energy -volume dependence looks also well. We calculated  E(V) using 
enough small step even 0.5%, 1%.

Best regards
Svetlana Kulkova    



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