gw_utils.F File Reference

#include "base/base_uses.f90"

Go to the source code of this file.

Modules
module	gw_utils

Functions/Subroutines
subroutine, public	gw_utils::create_and_init_bs_env_for_gw (qs_env, bs_env, bs_sec)
	...
subroutine, public	gw_utils::de_init_bs_env (qs_env, bs_env)
	Releases the memory-heavy GW intermediates that cannot be freed in bs_env_release, retaining the 3c neighbor list only when an AO-RI RT-BSE self-energy still needs it.
subroutine, public	gw_utils::rtbse_resolve_rirs_flag (qs_env, bs_env, rirs_kernel)
	Resolve the linRTBSE RI-RS kernel switch from the KERNEL_RI input and the GW default.
subroutine, public	gw_utils::compute_xkp (xkp, ikp_start, ikp_end, grid)
	...
subroutine, public	gw_utils::get_i_j_atoms (atoms_i, atoms_j, n_atom_i, n_atom_j, color_sub, bs_env)
	...
subroutine, public	gw_utils::add_r (cell_1, cell_2, index_to_cell, cell_1_plus_2, cell_found, cell_to_index, i_cell_1_plus_2)
	...
subroutine, public	gw_utils::is_cell_in_index_to_cell (cell, index_to_cell, cell_found)
	...
subroutine, public	gw_utils::get_v_tr_r (v_tr_r, pot_type, regularization_ri, bs_env, qs_env)
	...
subroutine, public	gw_utils::power (matrix, exponent, eps, cond_nr, min_ev, max_ev)
	...
subroutine, public	gw_utils::time_to_freq (bs_env, sigma_c_n_time, sigma_c_n_freq, ispin)
	...
subroutine, public	gw_utils::analyt_conti_and_print (bs_env, sigma_c_ikp_n_freq, sigma_x_ikp_n, v_xc_ikp_n, eigenval_scf, ikp, ispin)
	...