[CP2K-user] [CP2K:18046] r2scan-3c
Thomas Kühne
tkuehne at gmail.com
Thu Nov 17 06:21:51 UTC 2022
Dear Hongyang Ma,
r2scan is available via the libxc library, r2scan-3c is not supported as yet.
Best,
Thomas Kühne
> Am 16.11.2022 um 23:34 schrieb ma455... at gmail.com <ma455173220 at gmail.com>:
>
> Dear cp2k developers,
>
> I'm just wondering does cp2k support r2scan-3c functional now?
>
> Regards,
> Hongyang Ma
>
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==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
thomas.kuehne at upb.de
+49/(0)5251/60-5726
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