This module handles spin dimensions of the states and the k-point distribution. More...

Detailed Description

This module handles spin dimensions of the states and the k-point distribution.

Currently, for SPIN_POLARIZED calculations, the spin channels are combined with the k-point index. This module provides functions to extract the separate spin and k-point indices.

Data Types
type	states_elec_dim_t
	class for organizing spins and k-points More...

Functions/Subroutines
subroutine, public	states_elec_dim_copy (dout, din)

subroutine, public	states_elec_dim_end (dim)

logical pure function, public	is_spin_up (ik)
	Returns true if k-point ik denotes spin-up, in spin-polarized case. More...

logical pure function, public	is_spin_down (ik)
	Returns true if k-point ik denotes spin-down, in spin-polarized case. More...

integer pure function	states_elec_dim_get_spin_index (this, iq)
	extract the spin index from the combined spin and k index More...

integer pure function	states_elec_dim_get_kpoint_index (this, iq)
	extract the k-point index from the combined spin and k index More...

Variables
integer, parameter, public	spin_down = 1
	Spin-polarized k-indices for non-periodic systems. More...

integer, parameter, public	spin_up = 2

Function/Subroutine Documentation

◆ states_elec_dim_copy()

subroutine, public states_elec_dim_oct_m::states_elec_dim_copy	(	type(states_elec_dim_t), intent(inout)	dout,
		type(states_elec_dim_t), intent(in)	din
	)

Definition at line 172 of file states_elec_dim.F90.

◆ states_elec_dim_end()

subroutine, public states_elec_dim_oct_m::states_elec_dim_end ( type(states_elec_dim_t), intent(inout) dim )

Definition at line 193 of file states_elec_dim.F90.

◆ is_spin_up()

logical pure function, public states_elec_dim_oct_m::is_spin_up ( integer, intent(in) ik )

Returns true if k-point ik denotes spin-up, in spin-polarized case.

Definition at line 208 of file states_elec_dim.F90.

◆ is_spin_down()

logical pure function, public states_elec_dim_oct_m::is_spin_down ( integer, intent(in) ik )

Returns true if k-point ik denotes spin-down, in spin-polarized case.

Definition at line 219 of file states_elec_dim.F90.

◆ states_elec_dim_get_spin_index()

integer pure function states_elec_dim_oct_m::states_elec_dim_get_spin_index	(	class(states_elec_dim_t), intent(in)	this,
		integer, intent(in)	iq
	)

private

extract the spin index from the combined spin and k index

Definition at line 229 of file states_elec_dim.F90.

◆ states_elec_dim_get_kpoint_index()

integer pure function states_elec_dim_oct_m::states_elec_dim_get_kpoint_index	(	class(states_elec_dim_t), intent(in)	this,
		integer, intent(in)	iq
	)

private

extract the k-point index from the combined spin and k index

Definition at line 245 of file states_elec_dim.F90.

Variable Documentation

◆ spin_down

integer, parameter, public states_elec_dim_oct_m::spin_down = 1

Spin-polarized k-indices for non-periodic systems.

Definition at line 144 of file states_elec_dim.F90.

◆ spin_up

integer, parameter, public states_elec_dim_oct_m::spin_up = 2