[Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)

[Paolo Giannozzi]

On Sep 6, 2012, at 6:06 , Jiseok Kim wrote:

> => I don't think I have a problem with 'cg' diagonalization.

maybe not, but it is usually slower than the default Davidson  
diagonalization

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222