[CP2K-user] [CP2K:20847] about WB97M_V functional

xuan wang xw97259 at gmail.com
Sat Nov 2 07:52:12 UTC 2024


Dear cp2k users,

I am now trying to use WB97M_V hybrid functional for calculation of
properties of periodic system.

I want to ask if my definition in &XC is rational for this hybrid
functional:
[image: 81a846344e4330dc0bb1a3fceda3f03.png]

Best regards,
Xuan

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