[Pw_forum] mixing in non-collinear case

[Paolo Giannozzi]

On Friday 21 October 2005 17:49, Cyrille Barreteau wrote:

> I was wondering what kind of mixing is used in the
> non collinear version of pwscf (pwnc)

the same as in the collinear version. The main difference
is how the error on the energy is estimated

> And more importantly which quantity is mixed?

rho(r) and M(r), where M is the magnetization vector
along x,y,z, I think (no warranty)

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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