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 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
