[QE-users] convergence thresholds

[Paolo Giannozzi]

Quick answer: no, there is no reason.

Paolo

On Thu, Oct 15, 2020 at 2:25 PM pboulet <pascal.boulet at univ-amu.fr> wrote:

> Dear all,
>
> This question is more for developers. Is there a reason why the only
> threshold reported in the output file is about the wave function? why not
> the energy, and eventually forces and cell stress?
>
> Best,
> Pascal
>
>
> Pascal Boulet
> —
> *Professor in computational materials - DEPARTMENT OF CHEMISTRY*
> University of Aix-Marseille - Avenue Escadrille Normandie Niemen -
> F-13013 Marseille - FRANCE
> Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
> Email : pascal.boulet at univ-amu.fr
>
>
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-- 
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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