[Pw_forum] cp with metals

Davide Ceresoli ceresoli at sissa.it
Tue Nov 22 17:21:52 CET 2005


Nichols A. Romero wrote:
> Hi,
> 
> How does the Car-Parinello MD code in the ESPRESSO package handle
> metallic cases? Does it implement the method by Blochl et. al PRB 45,
> 9413 (1992).
> 
Yes, in namelist &electrons:
     electron_temperature = 'nose' or 'rescaling'

Best,
     Davide







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