Supercell corresponding to a given k-point mesh. More...

#include <LatticeUtils.h>

Public Member Functions
	Supercell (const GridInfo &gInfo, const std::vector< vector3<>> &kmeshReduced, const std::vector< SpaceGroupOp > &sym, const std::vector< int > &invertList)

Public Attributes
const GridInfo &	gInfo
	unit cell and corresponding grids

std::vector< vector3<> >	kmesh
	closure of kmeshReduced under symmetry group sym

matrix3	Rsuper
	super-cell lattice vectors

matrix3< int >	super
	linear combinations to get Rsuper (Rsuper = R * super)

std::vector< KmeshTransform >	kmeshTransform

Detailed Description

Supercell corresponding to a given k-point mesh.

Constructor & Destructor Documentation

Supercell::Supercell	(	const GridInfo &	gInfo,
		const std::vector< vector3<>> &	kmeshReduced,
		const std::vector< SpaceGroupOp > &	sym,
		const std::vector< int > &	invertList
	)

Construct supercell given the unit cell and grid definition, symmetry-reduced k-point mesh and list of symmetries

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