[Pw_forum] how to fix cellside
Carlo Nervi
carlo.nervi at unito.it
Tue Jan 16 12:58:21 CET 2018
Do you mean fixed cell?
In this case:
calculation = 'relax'
HTH,
Carlo
2018-01-16 8:13 GMT+01:00 Maxim Arsentev <arsentev at isc.nw.ru>:
> Dear Quantum-Espresso users and developers,
>
> I need to fix cell side during geometry optimization in espresso. How it
> can be done?
>
> Best wishes,
> Maxim Arsent'ev, Ph.D. (Chemistry)
> Laboratory of research of nanostructures
> Institute of Silicate Chemistry of RAS
>
>
>
>
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>
--
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Fax: +39 0116707855 - Dipartimento di Chimica, via
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