Difference in requesting LC-PBE0 and LC-wPBEh functionals?


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Just Got Here
Hi Niri,

Thank you very much for the reply. I have couple of doubts with the implementation of this functional in the code. Is xwpbe and cam_beta both corresponds to SR DFT exchange?

And another thing is that how can I add LR DFT exchange term (1-alpha-beta) along with SR and LR HF parts. Generally, this is zero for alpha+beta=1.0. We cannot rule out this term for alpha+beta<1.



Best,
Chandra