[Pw_forum] Constrained VC relaxation

[Paolo Giannozzi]

On Monday 31 January 2005 13:34, Ben Hope wrote:

> Does the lack of replies indicate that this is not possible with
> pwscf? 

it indicates that nobody knows the answer, or that nobody
who knows the answer is taking the time to answer. I have 
never heard that constrained variable-cell relaxation is
implemented, but this is more or less all I know.

> This would seem to be quite a significant disadvantage for the
> code when using it to study 1-dimensional systems.

if you implement it, the disadvantage will be removed

Paolo

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