[QE-users] convergence thresholds

[pboulet]

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 <mailto:pascal.boulet at univ-amu.fr>








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