[Pw_forum] cell optimization

Stefano Baroni baroni at sissa.it
Sun Jun 15 18:32:49 CEST 2008


done - SB

On Jun 15, 2008, at 4:05 PM, hania djani-ait aissa wrote:

> dear Ralph,
> nice to read from you.
> I am trying new calculation with ecutoff=40Ry, and will see if the  
> discontinuous energy-volume persist. however for better  
> understanding, i would ask if someone could send me:  M.Bernasconi  
> et al. J.Phys.Chem.Solids 56,501(1995).
> thanks
>
> Hania Djani-aitaissa
> CDTA, Algiers, Algeria
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
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