[Pw_forum] cell(dm)
Stefano de Gironcoli
degironc at sissa.it
Sun Apr 24 15:06:14 CEST 2011
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
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