[Pw_forum] SCF convergence - proposal

Paolo Giannozzi giannozz at nest.sns.it
Fri Feb 20 19:19:45 CET 2004

On Friday 20 February 2004 18:20, Konstantin Kudin wrote:

> Right now the code uses fixed mixing (0.7), which is
> sort of similar to doing V(rho_) with c1 and c2 always
> fixed, and V(c1*rho_i+c2*rho_i-1) is honestly
> computed.

it's not that simple. Early versions of PWscf used Anderson mixing:'s 
D.G. Anderson, J. Assoc. Comput. Mach. 12, 547 (1965).

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

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