[Pw_forum] Error in ph.x calculation: eigenvectors not orthogonal

Paolo Giannozzi p.giannozzi at gmail.com
Wed Mar 15 14:13:32 CET 2017


On Tue, Mar 14, 2017 at 2:47 AM, Pablo García Risueño
<garcia.risueno at gmail.com> wrote:

> I have one problem when running ph.x: the obtained eigenvectors of the
> dynamical matrix are not orthogonal among them.

please provide information on how exactly you computed orthogonaliity

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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