[Pw_forum] speeding up vc-relax

[Nichols A. Romero]

Paolo,

I absolutely agree. This is more for testing purposes. To show that
different codes give the same "bad" DFT answers.

On 1/17/06, Paolo Giannozzi <giannozz at nest.sns.it> wrote:
> On Tuesday 17 January 2006 17:51, Nichols A. Romero wrote:
>
> > I was doing vc-relax on a vdW bonded system
>
> you shouldn't. Van der Waals bonded systems are not well
> described by DFT.
>
> Paolo
>
> --
> Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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