[Pw_forum] problem with convergence during SCF-procedure

[Paolo Giannozzi]

Alexej Mazheika wrote:

> I tried to use mixing_beta 0.3, mixing_ndim 10, mixing_mode = 'local-TF' 
> and I changed the diagonalization to 'diis'. 

really? it doesn't exist any longer, since several versions

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