On Tue, May 5, 2020 at 4:40 PM BENYAHIA NEZHA <[email protected]> wrote:
in the output directory it displays the pressure P=********** however the > total force is minimised Total force= 2.060 > It's the energy that is minimized, not the forces. Anyway, the forces are very large, but even zero forces do not guarantee to be at the minimum. I don't understand what does the stars mean (pressure) > the stars mean that your pressure is so large that it exceeds the format. This is a clear indication that there is something very wrong in your calculation and what i have to do to obtain a pression of zero > <https://lists.quantum-espresso.org/mailman/listinfo/users> First of all you have to understand a little bit better the problem. 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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