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Searched refs:Eigenval_scf (Results 1 – 5 of 5) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_gw.F424 ALLOCATE (Eigenval_scf(nmo))
425 Eigenval_scf(:) = Eigenval(:)
666 DEALLOCATE (Eigenval_scf)
2962 Eigenval_scf(1:nmo) = Eigenval_scf_kp(1:nmo, ikp)
3511 level_energ_GW = (Eigenval_scf(n_level_gw_ref) - &
3805 my_start_val = Eigenval_scf
3878 my_start_val = Eigenval_scf
4054 new_energy = (Eigenval_scf(n_level_gw_ref) - &
4432 …Eigenval_scf(homo - gw_corr_lev_occ + 1:homo + gw_corr_lev_virt) = Eigenval_scf(homo - gw_corr_lev…
4465 Eigenval_scf(n_level_gw) = Eigenval_scf(n_level_gw) + eigen_diff
[all …]
H A Drpa_main.F1343 Eigenval_scf, Eigenval_scf_beta, tau_tj, tau_wj, tj, trace_Qomega, vec_omega_fit_gw, & local
1573 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, &
1588 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, &
1767 Eigenval, Eigenval_last, Eigenval_scf, &
1903 … Eigenval_last, Eigenval_scf, iter_sc_GW0, exit_ev_gw, tau_tj, tj, &
1925 … Eigenval_last, Eigenval_scf, iter_sc_GW0, exit_ev_gw, tau_tj, tj, &
2007 … Eigenval_last, Eigenval_scf, do_periodic, matrix_berry_re_mo_mo, matrix_berry_im_mo_mo, &
2014 … Eigenval_last, Eigenval_scf, do_periodic, matrix_berry_re_mo_mo, matrix_berry_im_mo_mo, &
H A Drpa_util.F594 Eigenval, Eigenval_last, Eigenval_scf, & argument
601 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: Eigenval, Eigenval_last, Eigenval_scf local
635 …ALL calc_fm_mat_S_rpa(fm_mat_S, first_cycle, count_ev_sc_GW, virtual, Eigenval_scf, Eigenval_scf, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_gw.F582 ALLOCATE (Eigenval_scf(nmo))
583 Eigenval_scf(:) = Eigenval(:)
849 DEALLOCATE (Eigenval_scf)
3217 Eigenval_scf(1:nmo) = Eigenval_scf_kp(1:nmo, ikp)
3834 level_energ_GW = (Eigenval_scf(n_level_gw_ref) - &
4075 my_start_val = Eigenval_scf
4141 my_start_val = Eigenval_scf
4403 new_energy = (Eigenval_scf(n_level_gw_ref) - &
4759 …Eigenval_scf(homo - gw_corr_lev_occ + 1:homo + gw_corr_lev_virt) = Eigenval_scf(homo - gw_corr_lev…
4792 Eigenval_scf(n_level_gw) = Eigenval_scf(n_level_gw) + eigen_diff
[all …]
H A Drpa_main.F1483 Eigenval_scf, Eigenval_scf_beta, tau_tj, tau_wj, tj, trace_Qomega, vec_omega_fit_gw, & local
1732 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, &
1747 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, &
2106 Eigenval_last, Eigenval_scf, tau_tj, tj, &
2131 Eigenval_last, Eigenval_scf, tau_tj, tj, &
2220 … Eigenval_last, Eigenval_scf, do_periodic, matrix_berry_re_mo_mo, matrix_berry_im_mo_mo, &
2227 … Eigenval_last, Eigenval_scf, do_periodic, matrix_berry_re_mo_mo, matrix_berry_im_mo_mo, &