wannier90_nnkpts Module Reference

Read explicit Wannier90 overlap connections, including nonuniform closed loops. More...

Functions/Subroutines
subroutine, public	read_wannier90_nnkpts (filename, real_lattice, recip_lattice, kpt, nnlist, nncell)
	Read and validate the cell, points, and directed connections of an nnkp file.

Detailed Description

Read explicit Wannier90 overlap connections, including nonuniform closed loops.

Function/Subroutine Documentation

read_wannier90_nnkpts()

subroutine, public wannier90_nnkpts::read_wannier90_nnkpts	(	character(len=*), intent(in)	filename,
		real(kind=dp), dimension(3, 3), intent(in)	real_lattice,
		real(kind=dp), dimension(3, 3), intent(in)	recip_lattice,
		real(kind=dp), dimension(:, :), intent(out), allocatable	kpt,
		integer, dimension(:, :), intent(out), allocatable	nnlist,
		integer, dimension(:, :, :), intent(out), allocatable	nncell )

Read and validate the cell, points, and directed connections of an nnkp file.

Parameters

filename	input file
real_lattice	direct lattice vectors as columns, in Angstrom
recip_lattice	reciprocal lattice vectors as columns, in inverse Angstrom (including 2*pi)
kpt	fractional k-points, without coordinate wrapping
nnlist	target point for each directed connection
nncell	reciprocal lattice translation for each connection

Definition at line 36 of file wannier90_nnkpts.F.

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