LC-wPBE problem

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi Han,

Unlike the traditional definition of global hybrid functionals, the way we handle range-separated forms is we define full magnitudes in the first line. The behavior of the range-separated functional as a function of distance is controlled by the second line (cam …) Here, the cam_beta controls the long-range asymptotic behavior of the HF part.
The cam term (the exponent term) controls where the short-range DFT turns off and where the long-range HF turns on.

Best,
-Niri


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