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
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