(git:34ef472)
xc_xwpbe.F File Reference

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Modules

module  xc_xwpbe
 Calculates short range exchange part for wPBE functional and averaged PBE exchange-hole functional (omega = 0.0 )
 

Functions/Subroutines

subroutine, public xc_xwpbe::xwpbe_lda_info (reference, shortform, needs, max_deriv)
 return various information on the functional More...
 
subroutine, public xc_xwpbe::xwpbe_lda_eval (rho_set, deriv_set, order, xwpbe_params)
 evaluates the screened hole averaged PBE exchange functional for lda More...
 
subroutine, public xc_xwpbe::xwpbe_lsd_info (reference, shortform, needs, max_deriv)
 return various information on the functional More...
 
subroutine, public xc_xwpbe::xwpbe_lsd_eval (rho_set, deriv_set, order, xwpbe_params)
 evaluates the screened hole averaged PBE exchange functional for lsd More...