Quick answer: no, there is no reason. Paolo
On Thu, Oct 15, 2020 at 2:25 PM pboulet <pascal.bou...@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.bou...@univ-amu.fr > > > > > > > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
