gw_auto_ri_generate_ri_basis Module Reference

Automatic RI basis set optimization for molecular GW. More...

Functions/Subroutines
subroutine, public	generate_auto_ri_basis (qs_env, bs_env)
	Executes the AUTO_RI algorithm defined by Eqs. (1)-(14).

Detailed Description

Automatic RI basis set optimization for molecular GW.

History

09.2026 created [Jan Wilhelm]

Function/Subroutine Documentation

generate_auto_ri_basis()

subroutine, public gw_auto_ri_generate_ri_basis::generate_auto_ri_basis	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env )

Executes the AUTO_RI algorithm defined by Eqs. (1)-(14).

Parameters

qs_env	...
bs_env	...

Definition at line 189 of file gw_auto_ri_generate_RI_basis.F.

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