[Pw_forum] vc-md question

[Paolo Giannozzi]

On Monday 30 January 2006 19:41, Miguel Martínez Canales wrote:

> I understood that vc-relax fully relaxes the structure. I mean, the target
> pressure of the relaxation is p=0.

did you try? I would be surprised if relaxation at finite pressure was not
implemented: it is a trivial extension of the p=0 case. Note however that 
the convergence of equilibrium volume with cutoff is veeery slow.

P.

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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