the simplest way to optimize the cell of your system would be to use vc-relax choosing bfgs or damp dynamics. as a default I would begin with bfgs
stefano Quoting Abolore Musari <abmus007 at gmail.com>: > Dear QE User, l want to ask if for instance am workn on orthorhombic > sys r we going to perform lattice constant optimization for b and c > also afer performing for a. THANKS MUSARI, A. A DEPT OF PHY UNAAB > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
