[CP2K-user] [CP2K:20160] Hybrid functional issues
xuan wang
xwgarrett at gmail.com
Fri May 3 11:50:03 UTC 2024
Dear all,
I learned that in CP2K, the use of HSE06 for periodic calculations is not
allowed to use POTENTIAL_TYPE TRUNCATED, but POTENTIAL_TYPE SHORTANGE.
However, even SHORTANGE will also assume a cutoff_radius which is not
defined by users.
I am wondering about how many functionals behave like such HSE06?
Thank you!
Best regards,
Garrett
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