[Pw_forum] SD PSP

Paolo Giannozzi giannozz at democritos.it
Tue Jul 13 16:26:31 CEST 2010


Suza W wrote:

> Have spin-dependent pesudopotentials (as discussed in Phys. Rev. B 69, 
> 052404, 2004) been incorporated in Quantum Espresso ?

no

> Is it at all justifiable to use a spin-neutral pseudopotential for the 
> magnetic system ?  

With the nonlinear core correction, it should

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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