[QE-users] Regarding Relaxing atomic positions with version 6.8

Paolo Giannozzi p.giannozzi at gmail.com
Wed Aug 25 11:40:15 CEST 2021


Hard to say what happens and why, without a test that can be run.

Paolo

Il mer 25 ago 2021, 11:22 Kondaiah Samudrala <konda.physics at gmail.com> ha
scritto:

> Dear Minkyu Park,
>
> Yes, I have tried with "cg", still having the same problem. But I will try
> with other suggestion. Still, why does it happens for the latest
> versions. The same input is running with 6.4 version or older.
>
> with regards
> Konda
>
> University of Seoul, Seoul,
> South Korea
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