[Pw_forum] cell optimization

hania djani-ait aissa djaithania at hotmail.com
Sun Jun 15 16:05:59 CEST 2008


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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