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rpa_gw_kpoints_util.F File Reference

Go to the source code of this file.

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)
 ...
 
subroutine, public rpa_gw_kpoints_util::cp_cfm_power (matrix, threshold, exponent, min_eigval)
 ...
 
subroutine, public rpa_gw_kpoints_util::get_mat_cell_t_from_mat_gamma (mat_p_omega, qs_env, kpoints, jquad, unit_nr)
 ...
 
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)
 ...
 
subroutine, public rpa_gw_kpoints_util::compute_wkp_w (qs_env, wkp_w, wkp_v, kpoints, h_inv, periodic)
 ...
 
subroutine, public rpa_gw_kpoints_util::cp_cfm_upper_to_full (cfm_mat_q)
 ...
 
subroutine, public rpa_gw_kpoints_util::get_bandstruc_and_k_dependent_mos (qs_env, eigenval_kp)
 ...
 
subroutine, public rpa_gw_kpoints_util::mat_kp_from_mat_gamma (qs_env, mat_kp, mat_gamma, kpoints, ispin, real_mat_real_space)
 ...