[Pw_forum] relaxation with vc-relax

[Payam Norouzzadeh]

Dear Prof.Giannozzi
Thank you for your comment.
Best regards,Payam Norouzzadeh

On Thu, Mar 8, 2012 at 10:50 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> 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
>
>
>
>
>
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