GW using RI-RS Approximation for molecules. More...

Functions/Subroutines
subroutine, public	gw_calc_ri_rs_large_cell_gamma (qs_env, bs_env)
	GW calculation using RI-RS formalism for molecules.
subroutine, public	setup_square_topology (matrix_template, dim_type, square_dist, blk_sizes, mapped_dist)
	DBCSR Topology Generation.
subroutine, public	release_dbcsr_topology_and_matrices (dist, mapped_dist, m1, m2, m3, m4)
	DBCSR matrices deallocation.

Detailed Description

GW using RI-RS Approximation for molecules.

Function/Subroutine Documentation

subroutine, public gw_ri_rs_large_cell_gamma::gw_calc_ri_rs_large_cell_gamma	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env )

GW calculation using RI-RS formalism for molecules.

Parameters

qs_env	...
bs_env	Band-structure environment containing GW parameters.

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subroutine, public gw_ri_rs_large_cell_gamma::setup_square_topology	(	type(dbcsr_type), intent(in)	matrix_template,
		character(len=*), intent(in)	dim_type,
		type(dbcsr_distribution_type), intent(out)	square_dist,
		integer, dimension(:), intent(out), pointer	blk_sizes,
		integer, dimension(:), intent(out), pointer	mapped_dist )

DBCSR Topology Generation.

Parameters

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subroutine, public gw_ri_rs_large_cell_gamma::release_dbcsr_topology_and_matrices	(	type(dbcsr_distribution_type), intent(inout), optional	dist,
		integer, dimension(:), intent(inout), optional, pointer	mapped_dist,
		type(dbcsr_type), intent(inout), optional	m1,
		type(dbcsr_type), intent(inout), optional	m2,
		type(dbcsr_type), intent(inout), optional	m3,
		type(dbcsr_type), intent(inout), optional	m4 )

DBCSR matrices deallocation.

Parameters

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