gw_large_cell_gamma Module Reference

Routines from paper [Graml2024]. More...

Functions/Subroutines
subroutine, public	gw_calc_large_cell_gamma (qs_env, bs_env)
	Perform GW band structure calculation.
subroutine, public	compute_3c_integrals (qs_env, bs_env, t_3c, atoms_ao_1, atoms_ao_2, atoms_ri)
	...

Detailed Description

Routines from paper [Graml2024].

Author

Jan Wilhelm

Date

07.2023

Function/Subroutine Documentation

gw_calc_large_cell_gamma()

subroutine, public gw_large_cell_gamma::gw_calc_large_cell_gamma	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env
	)

Perform GW band structure calculation.

Parameters

qs_env	...
bs_env	...

History

• 07.2023 created [Jan Wilhelm]

Definition at line 106 of file gw_large_cell_gamma.F.

Here is the call graph for this function:

Here is the caller graph for this function:

compute_3c_integrals()

subroutine, public gw_large_cell_gamma::compute_3c_integrals	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env,
		type(dbt_type)	t_3c,
		integer, dimension(2), optional	atoms_ao_1,
		integer, dimension(2), optional	atoms_ao_2,
		integer, dimension(2), optional	atoms_ri
	)

...

Parameters

qs_env	...
bs_env	...
t_3c	...
atoms_AO_1	...
atoms_AO_2	...
atoms_RI	...

Definition at line 563 of file gw_large_cell_gamma.F.

Here is the call graph for this function:

Here is the caller graph for this function: