kpoints_oct_m::kpoints_t Type Reference

Detailed Description

Definition at line 172 of file kpoints.F90.

Private Member Functions
procedure	have_zero_weight_path => kpoints_have_zero_weight_path
procedure	get_kpoint_method => kpoints_get_kpoint_method
procedure	gamma_only => kpoints_gamma_only
procedure	get_weight => kpoints_get_weight
procedure	get_point => kpoints_get_point
procedure	write_info => kpoints_write_info
procedure	nkpt_in_path => kpoints_nkpt_in_path

Private Attributes
type(lattice_vectors_t)	latt
	lattice vectors defining the periodic lattice (in real-space). More...
type(kpoints_grid_t)	full
type(kpoints_grid_t)	reduced
integer	method = 0
logical	use_symmetries = .false.
logical	use_time_reversal = .false.
integer	nik_skip = 0
	number of user defined points with zero weight More...
integer, dimension(:), allocatable	nik_axis
	For the modified Monkhorst-Pack scheme. More...
integer, dimension(:), allocatable	niq_axis
	number of MP divisions More...
integer, dimension(:, :), allocatable, private	symmetry_ops
	(reducednpoints, nops) More...
integer, dimension(:), allocatable, private	num_symmetry_ops
	(reducednpoints) More...
real(real64), dimension(:), allocatable, private	coord_along_path
	For the output of a band-structure. More...
integer, dimension(:), allocatable	downsampling
	downsampling coefficients More...
type(symmetries_t), pointer	symm => null()

Member Function/Subroutine Documentation

have_zero_weight_path()

procedure kpoints_oct_m::kpoints_t::have_zero_weight_path

private

Definition at line 200 of file kpoints.F90.

get_kpoint_method()

procedure kpoints_oct_m::kpoints_t::get_kpoint_method

private

Definition at line 201 of file kpoints.F90.

gamma_only()

procedure kpoints_oct_m::kpoints_t::gamma_only

private

Definition at line 202 of file kpoints.F90.

get_weight()

procedure kpoints_oct_m::kpoints_t::get_weight

private

Definition at line 203 of file kpoints.F90.

get_point()

procedure kpoints_oct_m::kpoints_t::get_point

private

Definition at line 204 of file kpoints.F90.

write_info()

procedure kpoints_oct_m::kpoints_t::write_info

private

Definition at line 205 of file kpoints.F90.

nkpt_in_path()

procedure kpoints_oct_m::kpoints_t::nkpt_in_path

private

Definition at line 206 of file kpoints.F90.

Member Data Documentation

latt

type(lattice_vectors_t) kpoints_oct_m::kpoints_t::latt

private

lattice vectors defining the periodic lattice (in real-space).

Definition at line 175 of file kpoints.F90.

full

type(kpoints_grid_t) kpoints_oct_m::kpoints_t::full

private

Definition at line 177 of file kpoints.F90.

reduced

type(kpoints_grid_t) kpoints_oct_m::kpoints_t::reduced

private

Definition at line 178 of file kpoints.F90.

method

integer kpoints_oct_m::kpoints_t::method = 0

private

Definition at line 180 of file kpoints.F90.

use_symmetries

logical kpoints_oct_m::kpoints_t::use_symmetries = .false.

private

Definition at line 182 of file kpoints.F90.

use_time_reversal

logical kpoints_oct_m::kpoints_t::use_time_reversal = .false.

private

Definition at line 183 of file kpoints.F90.

nik_skip

integer kpoints_oct_m::kpoints_t::nik_skip = 0

private

number of user defined points with zero weight

Definition at line 184 of file kpoints.F90.

nik_axis

integer, dimension(:), allocatable kpoints_oct_m::kpoints_t::nik_axis

private

For the modified Monkhorst-Pack scheme.

number of MP divisions

Definition at line 187 of file kpoints.F90.

niq_axis

integer, dimension(:), allocatable kpoints_oct_m::kpoints_t::niq_axis

private

number of MP divisions

Definition at line 188 of file kpoints.F90.

symmetry_ops

integer, dimension(:, :), allocatable, private kpoints_oct_m::kpoints_t::symmetry_ops

private

(reducednpoints, nops)

Definition at line 189 of file kpoints.F90.

num_symmetry_ops

integer, dimension(:), allocatable, private kpoints_oct_m::kpoints_t::num_symmetry_ops

private

(reducednpoints)

Definition at line 190 of file kpoints.F90.

coord_along_path

real(real64), dimension(:), allocatable, private kpoints_oct_m::kpoints_t::coord_along_path

private

For the output of a band-structure.

Definition at line 193 of file kpoints.F90.

downsampling

integer, dimension(:), allocatable kpoints_oct_m::kpoints_t::downsampling

private

downsampling coefficients

Definition at line 195 of file kpoints.F90.

symm

type(symmetries_t), pointer kpoints_oct_m::kpoints_t::symm => null()

private

Definition at line 197 of file kpoints.F90.

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The documentation for this type was generated from the following file:

• electrons/kpoints.F90