wannier_oct_m::wannier_t Type Reference

Main object containing all Wannier-related data and methods. More...

Detailed Description

Main object containing all Wannier-related data and methods.

Definition at line 151 of file wannier.F90.

Private Member Functions
procedure	init_from_input => wannier_init_from_input
procedure	init_parallelization => wannier_init_parallelization
procedure	init_data_from_file => wannier_init_data_from_file
procedure	restart_write_data => wannier_restart_write_data
procedure	restart_read_data => wannier_restart_read_data
procedure	write_iter => wannier_write_iter
final	wannier_finalize

Private Attributes
type(wannier_opts_t)	options
	Wannier-related input options. More...
complex(real64), dimension(:,:,:), allocatable	u_matrix
	Wannier transformation matrix U. More...
complex(real64), dimension(:,:,:), allocatable	u_dis_matrix
	Wannier transformation matrix for disentanglement U_dis. More...
real(real64), dimension(:,:), allocatable	centers
	Wannier centers, of shape (3, num_wann) More...

Member Function/Subroutine Documentation

init_from_input()

procedure wannier_oct_m::wannier_t::init_from_input

private

Definition at line 161 of file wannier.F90.

init_parallelization()

procedure wannier_oct_m::wannier_t::init_parallelization

private

Definition at line 162 of file wannier.F90.

init_data_from_file()

procedure wannier_oct_m::wannier_t::init_data_from_file

private

Definition at line 163 of file wannier.F90.

restart_write_data()

procedure wannier_oct_m::wannier_t::restart_write_data

private

Definition at line 164 of file wannier.F90.

restart_read_data()

procedure wannier_oct_m::wannier_t::restart_read_data

private

Definition at line 165 of file wannier.F90.

write_iter()

procedure wannier_oct_m::wannier_t::write_iter

private

Definition at line 166 of file wannier.F90.

wannier_finalize()

final wannier_oct_m::wannier_t::wannier_finalize

finalprivate

Definition at line 167 of file wannier.F90.

Member Data Documentation

options

type(wannier_opts_t) wannier_oct_m::wannier_t::options

private

Wannier-related input options.

Definition at line 152 of file wannier.F90.

u_matrix

complex(real64), dimension(:,:,:), allocatable wannier_oct_m::wannier_t::u_matrix

private

Wannier transformation matrix U.

Definition at line 153 of file wannier.F90.

u_dis_matrix

complex(real64), dimension(:,:,:), allocatable wannier_oct_m::wannier_t::u_dis_matrix

private

Wannier transformation matrix for disentanglement U_dis.

Definition at line 154 of file wannier.F90.

centers

real(real64), dimension(:,:), allocatable wannier_oct_m::wannier_t::centers

private

Wannier centers, of shape (3, num_wann)

Definition at line 155 of file wannier.F90.

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

• electrons/wannier.F90