[Pw_forum] Geometry (Structural) Optimization

[Paolo Giannozzi]

On Thu, Oct 22, 2015 at 8:19 PM, Bahadır salmankurt <bsalmankurt at gmail.com>
wrote:


> in relax calculations, you must add *&cell*
>

no, it is needed only for variable-cell ("vc-relax" and "vc-md")
calculations

Paolo
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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