[Pw_forum] fix cell angle and cell parameter during geometry optimization

[Arles V. Gil Rebaza]

Dear Maxim, if you want to fix the cell angles and cell parameter during a
geometry optimization. So, do you want optimize only the atomic positions?
In this case, try to perform relax calculation (calculation = 'relax')  and
not vc-relax

Best

Arles V. Gil Rebaza
Instituto de Física La Plata
La Plata - Argentina

2017-09-01 8:56 GMT-03:00 Maxim Arsentev <arsentev at isc.nw.ru>:

> Dear users and developers,
>
> I need fix cell angle and cell parameter during geometry optimization,
>
> i analyzed cell dofree and not found needed variables.
> Bests,
> Maxim Arsent'ev, Ph.D. (Chemistry)
> Laboratory of research of nanostructures
> Institute of Silicate Chemistry of RAS
>
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