|
subroutine, public | xc_xpbe_hole_t_c_lr::xpbe_hole_t_c_lr_lda_info (reference, shortform, needs, max_deriv) |
| returns various information on the functional More...
|
|
subroutine, public | xc_xpbe_hole_t_c_lr::xpbe_hole_t_c_lr_lsd_info (reference, shortform, needs, max_deriv) |
| returns various information on the functional More...
|
|
subroutine, public | xc_xpbe_hole_t_c_lr::xpbe_hole_t_c_lr_lda_eval (rho_set, deriv_set, order, params) |
| evaluates the pbe-hole exchange in a truncated coulomb potential More...
|
|
subroutine, public | xc_xpbe_hole_t_c_lr::xpbe_hole_t_c_lr_lsd_eval (rho_set, deriv_set, order, params) |
| evaluates the pbe-hole exchange in a truncated coulomb potential More...
|
|
elemental subroutine, public | xc_xpbe_hole_t_c_lr::xpbe_hole_t_c_lr_lda_calc_1 (e_0, e_rho, e_ndrho, rho, ndrho, sscale, sx, R, order) |
| low level routine that calculates the energy derivatives in one point More...
|
|
elemental subroutine, public | xc_xpbe_hole_t_c_lr::xpbe_hole_t_c_lr_lda_calc_2 (e_0, e_rho, e_ndrho, rho, ndrho, sscale, sx, R, order) |
| low level routine that calculates the energy derivatives in one point More...
|
|