[QE-users] P=********** in the output directory
Paolo Giannozzi
p.giannozzi at gmail.com
Tue May 5 21:51:39 CEST 2020
On Tue, May 5, 2020 at 4:40 PM BENYAHIA NEZHA <BENYAHIA-NEZHA at hotmail.fr>
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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