[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) /
stefanobaroni (skype)
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