[Pw_forum] frc_blk question

[Paolo Giannozzi]

On Wednesday 14 June 2006 17:47, wlyim at puccini.che.pitt.edu wrote:

> I re-define my question: what's the main reason for violating the
> hermitian conditions?

insufficient convergence of either the unperturbed (scf) or the
linear-response (phonon) calculation, I guess

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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