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xc_tpss.F File Reference

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Modules

module  xc_tpss
 Calculates the tpss functional.
 

Functions/Subroutines

subroutine, public xc_tpss::tpss_lda_info (tpss_params, reference, shortform, needs, max_deriv)
 return various information on the functional
 
subroutine, public xc_tpss::tpss_lda_eval (rho_set, deriv_set, grad_deriv, tpss_params)
 evaluates the tpss functional in the spin unpolarized (lda) case