gw_optimize_ri_rs_grid Module Reference

Local-environment optimizer for atom-centred real-space RI grids. More...

Functions/Subroutines
subroutine, public	optimize_ri_rs_grid (qs_env, bs_env)
	Optimize the selected RI-RS grids stored in a GW band-structure environment.

Detailed Description

Local-environment optimizer for atom-centred real-space RI grids.

Author

Jan Wilhelm

Function/Subroutine Documentation

optimize_ri_rs_grid()

subroutine, public gw_optimize_ri_rs_grid::optimize_ri_rs_grid	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env )

Optimize the selected RI-RS grids stored in a GW band-structure environment.

Parameters

qs_env	Quickstep environment used by the upstream three-center-integral context.
bs_env	GW environment containing all configuration, basis, geometry, parallel, and grid data.

Definition at line 59 of file gw_optimize_ri_rs_grid.F.

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