| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rpa_util.F | 594 Eigenval, Eigenval_last, Eigenval_scf, & argument
601 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: Eigenval, Eigenval_last, Eigenval_scf local
632 … CALL calc_fm_mat_S_rpa(fm_mat_S, first_cycle, count_ev_sc_GW, virtual, Eigenval, Eigenval_last, &
663 … calc_fm_mat_S_rpa(fm_mat_S, first_cycle, count_ev_sc_GW, virtual, Eigenval, Eigenval_last, homo, & argument
668 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: Eigenval, Eigenval_last local
700 eigen_diff = Eigenval_last(avirt + homo) - Eigenval_last(iocc)
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| H A D | rpa_gw.F | 427 ALLOCATE (Eigenval_last(nmo))
428 Eigenval_last(:) = Eigenval(:)
604 vec_Sigma_x_minus_vxc_gw, Eigenval_last, & argument
665 DEALLOCATE (Eigenval_last)
1510 Eigenval_last, Eigenval_scf, gw_corr_lev_occ, gw_corr_lev_tot, &
1538 Eigenval_last, Eigenval_scf, gw_corr_lev_occ, gw_corr_lev_tot, &
1566 … IF (ABS(Eigenval(homo) - Eigenval_last(homo) - Eigenval(homo + 1) + Eigenval_last(homo + 1)) &
3978 Eigenval_last(:) = Eigenval(:)
4093 Eigenval_last(n_level_gw_ref)*evolt, &
4101 Eigenval_last(n_level_gw_ref)*evolt, &
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| H A D | rpa_main.F | 1342 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: delta_corr, Eigenval_last, Eigenval_last_beta, & 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, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rpa_gw.F | 445 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, & argument
585 ALLOCATE (Eigenval_last(nmo))
586 Eigenval_last(:) = Eigenval(:)
786 vec_Sigma_x_minus_vxc_gw, Eigenval_last, & argument
848 DEALLOCATE (Eigenval_last)
1476 Eigenval_last, Eigenval_scf, tau_tj, tj, & argument
4303 Eigenval_last(:) = Eigenval(:)
4381 Eigenval_last(n_level_gw_ref)*evolt, &
4388 Eigenval_last(n_level_gw_ref)*evolt, &
4442 Eigenval_last(n_level_gw_ref)*evolt, &
[all …]
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| H A D | rpa_main.F | 1482 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: delta_corr, Eigenval_last, Eigenval_last_beta, & local
1732 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, &
1747 delta_corr, Eigenval_last, Eigenval_scf, vec_W_gw, &
1962 …Q(fm_mat_S, do_ri_sos_laplace_mp2, first_cycle, count_ev_sc_GW, virtual, Eigenval, Eigenval_last, &
2106 Eigenval_last, Eigenval_scf, tau_tj, tj, &
2131 Eigenval_last, Eigenval_scf, tau_tj, tj, &
2145 … IF (ABS(Eigenval(homo) - Eigenval_last(homo) - Eigenval(homo + 1) + Eigenval_last(homo + 1)) &
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, &
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| H A D | rpa_util.F | 1032 …Q(fm_mat_S, do_ri_sos_laplace_mp2, first_cycle, count_ev_sc_GW, virtual, Eigenval, Eigenval_last, & argument
1039 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: Eigenval, Eigenval_last local
1070 … CALL calc_fm_mat_S_rpa(fm_mat_S, first_cycle, count_ev_sc_GW, virtual, Eigenval, Eigenval_last, &
1097 … calc_fm_mat_S_rpa(fm_mat_S, first_cycle, count_ev_sc_GW, virtual, Eigenval, Eigenval_last, homo, & argument
1102 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: Eigenval, Eigenval_last local
1134 eigen_diff = Eigenval_last(avirt + homo) - Eigenval_last(iocc)
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