[QE-users] SCF correction compared to forces is large: reduce conv_thr to get better values

[NM SALMA]

________________________________
De : NM SALMA
Envoyé : mardi 21 février 2023 21:25
À : users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Objet : SCF correction compared to forces is large: reduce conv_thr to get better values

I did a 'vc-relax' calculation to my material. After the calculation  have completed I found in the output file  the following message:

''SCF correction compared to forces is large: reduce conv_thr to get better values''

However, in the output file   Total force =     0.000000     Total SCF correction =     0.000000

So I don't know what should I do exactly. Can you please clarify my doubts?

You can find attached the part of the output file where I got that message.


Salma
Phd-student
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