Do you mean fixed cell? In this case: calculation = 'relax'
HTH, Carlo 2018-01-16 8:13 GMT+01:00 Maxim Arsentev <arsen...@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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ------------------------------------------------------------ Prof. Carlo Nervi carlo.ne...@unito.it Tel:+39 0116707507/8 Fax: +39 0116707855 - Dipartimento di Chimica, via P. Giuria 7, 10125 Torino, Italy. http://lem.ch.unito.it/
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