On 11/01/2017 11:58, mohammadreza hosseini wrote: > Dear all > > I am going to optimize the kpoint grid and degauss simultaneously . I > dont know the order and procedure tell me about that ? How can I choose > finle kpoint and degauss ? > >
Here: http://theossrv1.epfl.ch/Main/ElectronicTemperature nicola > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL Director, National Centre for Competence in Research NCCR MARVEL, EPFL http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
