Environment for NEGF based quantum transport calculations. More...

Functions/Subroutines
subroutine, public	negf_env_create (negf_env, sub_env, negf_control, force_env, negf_mixing_section, log_unit)
	Create a new NEGF environment and compute the relevant Kohn-Sham matrices. More...

subroutine, public	negf_env_release (negf_env)
	Release a NEGF environment variable. More...

Detailed Description

Environment for NEGF based quantum transport calculations.

Function/Subroutine Documentation

subroutine, public negf_env_types::negf_env_create	(	type(negf_env_type), intent(inout)	negf_env,
		type(negf_subgroup_env_type), intent(in)	sub_env,
		type(negf_control_type), pointer	negf_control,
		type(force_env_type), pointer	force_env,
		type(section_vals_type), pointer	negf_mixing_section,
		integer, intent(in)	log_unit
	)

Create a new NEGF environment and compute the relevant Kohn-Sham matrices.

Parameters

negf_env	NEGF environment to create
sub_env	NEGF parallel (sub)group environment
negf_control	NEGF control
force_env	the primary force environment
negf_mixing_section	pointer to a mixing section within the NEGF input section
log_unit	output unit number

History

Definition at line 156 of file negf_env_types.F.

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subroutine, public negf_env_types::negf_env_release ( type(negf_env_type), intent(inout) negf_env )

Release a NEGF environment variable.

Parameters

negf_env NEGF environment to release

History

Definition at line 1210 of file negf_env_types.F.

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