[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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