[CP2K-user] Range Separated hybrid XC
Andres Ortega
oandr... at gmail.com
Wed Nov 21 12:03:09 UTC 2018
Dear CP2K users,
I was wondering if you could help me with a doubt? I am curious about
something to try on CP2K
Is it possible to use an RSH exchange-correlation functional in cp2k?
It will be equivalent to use an HSE06 functional with the difference now I
can use also LR for PBE?
Will it follow for example the same shape as the ones introduced in NWChem?
Thank you for your time
Andres O.
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