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module | xc_pbe |
| calculates the pbe correlation functional
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subroutine, public | xc_pbe::pbe_lda_info (pbe_params, reference, shortform, needs, max_deriv) |
| return various information on the functional More...
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subroutine, public | xc_pbe::pbe_lsd_info (pbe_params, reference, shortform, needs, max_deriv) |
| return various information on the functional More...
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subroutine, public | xc_pbe::pbe_lda_eval (rho_set, deriv_set, grad_deriv, pbe_params) |
| evaluates the pbe correlation functional for lda More...
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subroutine, public | xc_pbe::pbe_lsd_eval (rho_set, deriv_set, grad_deriv, pbe_params) |
| evaluates the becke 88 exchange functional for lsd More...
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