sorry, I am wrong;) On Wed, Sep 2, 2009 at 8:28 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote:
> In data 02 settembre 2009 alle ore 14:25:43, xirainbow > <nkxirainbow at gmail.com> ha scritto: > > You choose bfgs parameter to do cell_dofree. > > However, cell_dofree is not applied to "bfgs" > > You can find the following content easily in pwscf_forum > > He is actually using damped Parrinello-Rahman dynamics for the cell, hence > there is no problem with cell_dofree. > > regards > > -- > Lorenzo Paulatto > SISSA & DEMOCRITOS (Trieste) > phone: +39 040 3787 511 > skype: paulatz > www: http://people.sissa.it/~paulatto/ > > *** save italian brains *** > http://saveitalianbrains.wordpress.com/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ____________________________________ Hui Wang School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/d01c8971/attachment.htm
