It is not even a "problem". vdwdf stress and even vdwdf scf with
nspin=2 have been implemented only lately, after the publication of
PRL 115, 136402 (2015) for sure in the case of scf. The solution is to
update QE to a newer version, possibly the newest, as suggested by
Kazume. If you don't want to use it, you may try with
vdw_corr='grimme-d3', that is, a totally different implementation of
dispersion forces, with pros & cons and assuming you are aware of the
differences.
HTH
Giuseppe
Quoting EMANUEL ALBERTO MARTINEZ <emanu...@ucm.es>:
Ok. I will try it, again ,it was a little hard to install the latest
version by several incompatibilities I found.
Regards
El lun, 27 jun 2022 a las 14:40, Kazume NISHIDATE (<nisid...@iwate-u.ac.jp>)
escribió:
> 2022/06/27 20:24、EMANUEL ALBERTO MARTINEZ <emanu...@ucm.es>のメール:
>
> I am using QE v6.5 in a HPC cluster. Could anyone please help me to
solve this problem?
First, you should update your QE to v.7.1.
(So that we can follow your question.)
西館
Kazume NISHIDATE Ph.D
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_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
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