(git:b279b6b)
xc_xlda_hole_t_c_lr.F File Reference

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Modules

module  xc_xlda_hole_t_c_lr
 Calculates the lda exchange hole in a truncated coulomb potential. Can be used as longrange correction for truncated hfx calculations.
 

Functions/Subroutines

subroutine, public xc_xlda_hole_t_c_lr::xlda_hole_t_c_lr_lda_info (reference, shortform, needs, max_deriv)
 returns various information on the functional More...
 
subroutine, public xc_xlda_hole_t_c_lr::xlda_hole_t_c_lr_lsd_info (reference, shortform, needs, max_deriv)
 returns various information on the functional More...
 
subroutine, public xc_xlda_hole_t_c_lr::xlda_hole_t_c_lr_lda_eval (rho_set, deriv_set, order, params)
 evaluates the truncated lda exchange hole More...
 
subroutine, public xc_xlda_hole_t_c_lr::xlda_hole_t_c_lr_lda_calc_0 (order, rho, e_0, e_rho, sx, R)
 low level routine More...
 
subroutine, public xc_xlda_hole_t_c_lr::xlda_hole_t_c_lr_lsd_eval (rho_set, deriv_set, order, params)
 evaluates the truncated lsd exchange hole. Calls the lda routine and applies spin scaling relation More...