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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_grids.F357 a_scaling = ext_scaling
359 a_scaling = 1.0_dp
374 wj(:) = wj(:)*a_scaling
474 a_scaling = a_high
480 left_term = left_term/4.0_dp/pi*a_scaling
490 a_scaling = 1.0_dp
494 a_scaling = (a_low + a_high)/2.0_dp
503 a_high = a_scaling
505 a_low = a_scaling
515 a_scaling_ext = a_scaling
[all …]
H A Drpa_main.F1339 REAL(KIND=dp) :: a_scaling, alpha, e_axk, e_axk_corr, e_fermi, e_fermi_beta, eps_filter, & local
1510 do_kpoints_cubic_RPA, a_scaling, e_fermi, tj, wj, mp2_env, &
1516 do_kpoints_cubic_RPA, a_scaling, e_fermi, tj, wj, mp2_env, &
1523 ext_scaling, a_scaling, tj, wj, &
1528 ext_scaling, a_scaling, tj, wj)
1572 a_scaling, Eigenval, tj, vec_omega_fit_gw, vec_Sigma_x_gw, &
1587 a_scaling, Eigenval, tj, vec_omega_fit_gw, vec_Sigma_x_gw, &
1744 omega = a_scaling/TAN(tj(jquad))
H A Drpa_gw.F288 a_scaling, Eigenval, tj, vec_omega_fit_gw, vec_Sigma_x_gw, & argument
306 REAL(KIND=dp), INTENT(IN) :: a_scaling local
364 omega = a_scaling/TAN(tj(jquad))
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_weights.F343 a_scaling = 1.0_dp
357 a_scaling = ext_scaling
362 wj(:) = wj(:)*a_scaling
462 a_scaling = a_high
468 left_term = left_term/4.0_dp/pi*a_scaling
478 a_scaling = 1.0_dp
482 a_scaling = (a_low + a_high)/2.0_dp
491 a_high = a_scaling
493 a_low = a_scaling
503 a_scaling_ext = a_scaling
[all …]
H A Drpa_main.F1479 REAL(KIND=dp) :: a_scaling, alpha, e_axk, e_axk_corr, e_fermi, e_fermi_beta, & local
1669 … do_kpoints_cubic_RPA, ext_scaling, a_scaling, e_fermi, tj, wj, mp2_env, &
1675 … do_kpoints_cubic_RPA, ext_scaling, a_scaling, e_fermi, tj, wj, mp2_env, &
1682 ext_scaling, a_scaling, tj, wj, &
1687 ext_scaling, a_scaling, tj, wj)
1731 a_scaling, Eigenval, tj, vec_omega_fit_gw, vec_Sigma_x_gw, &
1746 a_scaling, Eigenval, tj, vec_omega_fit_gw, vec_Sigma_x_gw, &
1940 omega = a_scaling/TAN(tj(jquad))
H A Drpa_gw.F444 a_scaling, Eigenval, tj, vec_omega_fit_gw, vec_Sigma_x_gw, & argument
463 REAL(KIND=dp), INTENT(IN) :: a_scaling local
522 omega = a_scaling/TAN(tj(jquad))