(git:b279b6b)
rpa_gw_kpoints_util.F File Reference

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Modules

module  rpa_gw_kpoints_util
 Routines treating GW and RPA calculations with kpoints.
 

Functions/Subroutines

subroutine, public rpa_gw_kpoints_util::invert_eps_compute_w_and_erpa_kp (dimen_RI, num_integ_points, jquad, nkp, count_ev_sc_GW, para_env, Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, do_ri_Sigma_x, do_kpoints_from_Gamma, cfm_mat_Q, ikp_local, mat_P_omega, mat_P_omega_kp, qs_env, eps_filter_im_time, unit_nr, kpoints, fm_mat_Minv_L_kpoints, fm_matrix_L_kpoints, fm_mat_W, fm_mat_RI_global_work, mat_MinvVMinv, fm_matrix_Minv, fm_matrix_Minv_Vtrunc_Minv)
 ... More...
 
subroutine, public rpa_gw_kpoints_util::cp_cfm_power (matrix, threshold, exponent, min_eigval)
 ... More...
 
subroutine, public rpa_gw_kpoints_util::get_mat_cell_t_from_mat_gamma (mat_P_omega, qs_env, kpoints, jquad, unit_nr)
 ... More...
 
subroutine, public rpa_gw_kpoints_util::real_space_to_kpoint_transform_rpa (real_mat_kp, imag_mat_kp, mat_real_space, kpoints, eps_filter_im_time, real_mat_real_space)
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subroutine, public rpa_gw_kpoints_util::compute_wkp_w (qs_env, wkp_W, wkp_V, kpoints, h_inv, periodic)
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subroutine, public rpa_gw_kpoints_util::cp_cfm_upper_to_full (cfm_mat_Q)
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subroutine, public rpa_gw_kpoints_util::get_bandstruc_and_k_dependent_mos (qs_env, Eigenval_kp)
 ... More...
 
subroutine, public rpa_gw_kpoints_util::mat_kp_from_mat_gamma (qs_env, mat_kp, mat_gamma, kpoints, ispin, real_mat_real_space)
 ... More...