5.12.1. kpoints.KPoints

class eminus.kpoints.KPoints(lattice, a=None)

KPoints object that holds k-points properties and build methods.

Parameters:

• lattice – Lattice system.

• a – Cell size.

Methods

build()	Build all parameters of the KPoints object.
kernel()	Build all parameters of the KPoints object.
view(*args, **kwargs)	Unified display function.
write(filename, *args, **kwargs)	Unified file writer function.

Attributes

Nk	Number of k-points.
gamma_centered	Generate a Gamma-point centered grid.
k	k-point coordinates.
k_scaled	Scaled k-point coordinates.
kmesh	k-point mesh.
kshift	k-point shift-vector.
path	k-point band path.
wk	k-point weights.
lattice	Lattice system.
a	Cell size.
is_built	Determines the KPoints object build status.

build()

Build all parameters of the KPoints object.

kernel()

Build all parameters of the KPoints object.

property Nk

Number of k-points.

a

Cell size.

property gamma_centered

Generate a Gamma-point centered grid.

is_built

Determines the KPoints object build status.

property k

k-point coordinates.

property k_scaled

Scaled k-point coordinates.

property kmesh

k-point mesh.

property kshift

k-point shift-vector.

lattice

Lattice system.

property path

k-point band path.

property wk

k-point weights.