r2scan-3c

[ma455...@gmail.com]

Dear cp2k developers,

I'm just wondering does cp2k support r2scan-3c functional now?

Regards,

Hongyang Ma

[Thomas Kühne]

Dear Hongyang Ma, 

r2scan is available via the libxc library, r2scan-3c is not supported as yet. 

Best, 

Thomas Kühne

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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...@upb.de

+49/(0)5251/60-5726