r2SCAN in VASP 6.2.0

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Faber_
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r2SCAN in VASP 6.2.0

#1 Post by Faber_ » Fri Feb 19, 2021 10:19 am

Dear VASP community,
Since r2SCAN is implemented in VASP 6.X.X, I would like to know whether this is a stable, reliable and tested version in VASP 6.2.0?

Thanks in advance!

Best,
Fabian

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Re: r2SCAN in VASP 6.2.0

#2 Post by henrique_miranda » Tue Feb 23, 2021 11:30 am

Yes, the version of r2SCAN is working in VASP.
We have found recently that the version of rSCAN implemented in VASP yields slightly different results from the implementation by Perdew's group. We are currently investigating a solution for this.
That is not the case for r2SCAN.

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