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 Algorithm: 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
