On Wed, Dec 14, 2016 at 8:50 PM, fataneh bostan afroz <[email protected]> wrote:
> I perform calculation of 'vc-relax', using GGA+U > The calculation is cut after 8 iteration because of shortage of RAM 8 self-consistent iterations or 8 steps of variable-cell optimization? > Can I determine lower than 8 iteration for 'vc-relax', > please guide me > thank you > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
