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 <arsen...@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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ###---------> Arles V. <---------###
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