kpoint_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	kpoint_types
	Types and basic routines needed for a kpoint calculation.

Functions/Subroutines
subroutine, public	kpoint_types::kpoint_create (kpoint)
	Create a kpoint environment. More...
subroutine, public	kpoint_types::kpoint_release (kpoint)
	Release a kpoint environment, deallocate all data. More...
subroutine, public	kpoint_types::get_kpoint_info (kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, full_grid, use_real_wfn, eps_geo, parallel_group_size, kp_range, nkp, xkp, wkp, para_env, blacs_env_all, para_env_kp, para_env_inter_kp, blacs_env, kp_env, kp_aux_env, mpools, iogrp, nkp_groups, kp_dist, cell_to_index, index_to_cell, sab_nl, sab_nl_nosym)
	Retrieve information from a kpoint environment. More...
subroutine, public	kpoint_types::set_kpoint_info (kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, full_grid, use_real_wfn, eps_geo, parallel_group_size, kp_range, nkp, xkp, wkp, para_env, blacs_env_all, para_env_kp, para_env_inter_kp, blacs_env, kp_env, kp_aux_env, mpools, iogrp, nkp_groups, kp_dist, cell_to_index, index_to_cell, sab_nl, sab_nl_nosym)
	Set information in a kpoint environment. More...
subroutine, public	kpoint_types::read_kpoint_section (kpoint, kpoint_section, a_vec)
	Read the kpoint input section. More...
subroutine, public	kpoint_types::write_kpoint_info (kpoint, dft_section)
	Write information on the kpoints to output. More...
subroutine, public	kpoint_types::kpoint_env_create (kp_env)
	Create a single kpoint environment. More...
subroutine, public	kpoint_types::get_kpoint_env (kpoint_env, nkpoint, wkp, xkp, is_local, mos)
	Get information from a single kpoint environment. More...
subroutine, public	kpoint_types::kpoint_sym_create (kp_sym)
	Create a single kpoint symmetry environment. More...