[Pw_forum] relaxation with vc-relax

[Paolo Giannozzi]

On Mar 7, 2012, at 23:41 , Payam Norouzzadeh wrote:

> &IONS
>  ion_dynamics = 'damp' ,
> /
> &CELL
> cell_dynamics = 'damp-w',
> /

if you use cell_dynamics = 'damp-w', I think shouldn't
specify ions_dynamics. You should also choose a suitable
value for "wmass": not sure how good the default value is

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