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  • HSEFunctional.C
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  • Martin Schlipf's avatar
    add interaction_potential function to evaluate the screening · 71a39e17
    Martin Schlipf authored Sep 27, 2013
    in HSEFunctional define static function that evaluates FT of the erfc(wr)/r potential
    screening omega must be static, so that this function can use it
    
    bugfixes in local xc energy
    use a instead of (1-a) [a = 1/4]
    add ec += h line in nonmagnetic correlation energy
    
    git-svn-id: http://qboxcode.org/svn/qb/branches/hse-dev@1385 cba15fb0-1239-40c8-b417-11db7ca47a34
    71a39e17