[Pw_forum] Convergence on vc-relax

[Paolo Giannozzi]

On Monday 26 April 2004 13:08, Sergei Lisenkov wrote:

> I'm performing the variable-cell relaxation (vc-relax) after usual
> relaxation [...] What is threshold of vc-relax ?

I think that there is no threshold (i.e. the calculation goes on indefinitely)
for variable-cell structural optimization. For sure, it was implemented
this way and I don't think anybody has changed this behaviour

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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