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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.
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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...
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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...
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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...
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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...
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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...
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