[CP2K-user] [CP2K:20846] about WB97M_V hybrid functional

xuan wang xw97259 at gmail.com
Sat Nov 2 08:01:50 UTC 2024


Dear cp2k users,

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

I want to ask if my definition of &XC part is rational:
[image: 7dcbdc7ae9979b62acd9d5aec2f24ee.png]

Best regards,
Xuan

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