[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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