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 > > > > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120308/ba7e5150/attachment.htm
