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.bou...@univ-amu.fr <mailto:pascal.bou...@univ-amu.fr>
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