[QE-users] vdW not implemented for nspin > 1 in QE 6.5

[Giuseppe Mattioli]

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 <emanuelm at 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 (<nisidate at iwate-u.ac.jp>)
> escribió:
>
>>
>> > 2022/06/27 20:24、EMANUEL ALBERTO MARTINEZ <emanuelm at 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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GIUSEPPE MATTIOLI
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