Re: [Pw_forum] disordered local moment (DLM) approach

2018-02-02 Thread Nicola Marzari
On 02/02/2018 11:59, Masoud Rahbarniazi wrote: > Dear QE users > Can sombody guide me on how to implement disordered local moment (DLM) > approach for paramagnetic materials? Do I need to do non-collinear > calculation or a collinear calculation with random up and down spins > suffices? what is

[Pw_forum] disordered local moment (DLM) approach

2018-02-02 Thread Masoud Rahbarniazi
Dear QE users Can sombody guide me on how to implement disordered local moment (DLM) approach for paramagnetic materials? Do I need to do non-collinear calculation or a collinear calculation with random up and down spins suffices? what is the best supercell size i should use? Thanks Masoud Rahb