[Pw_forum] kpoint and degauss opt

[Nicola Marzari]

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



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-- 
----------------------------------------------------------------------
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