[CP2K-user] [CP2K:20652] for RVV10L

xuan Garrett xwgarrett at gmail.com
Mon Sep 2 08:22:08 UTC 2024


Thank u, Professor Hutter.

Jürg Hutter <hutter at chem.uzh.ch>于2024年9月2日 周一15:43写道:

> Hi
>
> C and b parameters for rVV10 can be changed in the input, see
>
> FORCE_EVAL/DFT/XC/VDW_POTENTIAL/NON_LOCAL/PARAMETERS
>
> regards
> JH
>
> ________________________________________
> From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of xuan
> Garrett <xwgarrett at gmail.com>
> Sent: Monday, September 2, 2024 5:10 AM
> To: cp2k at googlegroups.com
> Subject: [CP2K:20649] for RVV10L
>
> Dear cp2kers,
>
> I find that the TYPE in NON_LOCAL currently supports DRSLL, LMKLL, and
> RVV10. I am wondering if RVV10L for layered materials is not supported
> currently.
>
> If I want to add the RVV10L correction for vdw in cp2k, is there any
> suggestions? Thank u.
>
> Best regards,
> Xuan
>
>
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