[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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