/TopoTB

A software package for calculating the electronic structure and topological properties of the tight-binding (TB) model.

Primary LanguageMathematicaGNU General Public License v3.0GPL-3.0

TopoTB

A software package for calculating the electronic structure and topological properties of the tight-binding (TB) model.

Installation

To use the TopoTB package, you must specify the complete path to load the package through Get or Needs. Alternatively, if the TopoTB package is located in a directory included in $Path, you can directly call it using Get or Needs. For convenience, either of the following two lines of code can quickly open a directory contained in $Path, place the TopoTB package in it, and call it directly using Get or Needs.

SystemOpen[FileNameJoin[{$UserBaseDirectory,"Applications"}]]
SystemOpen[FileNameJoin[{$BaseDirectory,"Applications"}]]

Use the FindFile function to view the installation path of the TopoTB package and check if it is installed in the directory specified in $Path.

FindFile["TopoTB`"]

Load

Load TopoTB package through Needs

Needs["TopoTB`"]

Load TopoTB package through Get

<<TopoTB`

Currently, main capabilities in the TopoTB package are

Names["TopoTB`BrillouinZone2D`*"]
Names["TopoTB`FirstBrillouinZone`*"]
Names["TopoTB`HamiltonianCalculation`*"]
Names["TopoTB`TopologicalNumber`*"]
Names["TopoTB`Model`*"]
Names["TopoTB`Wannier90`*"]
Names["TopoTB`VASP`*"]
Names["TopoTB`Plots`*"]

Get help by running the ?+function, such as ?HSPBand.

Main capabilities of TopoTB

Calculate the band structure, density of states, Fermi surface, and spin texture of the TB model

Calculate the Berry phase, Berry curvature, Chern number, and $Z_2$ number of the TB model

Process band data calculated by VASP

Process the wannier90_hr.dat files obtained by Wannier90 and analyze them

Batch testing of parameters in the TB model

Examples

For further details, please refer to the examples in the software package and https://arxiv.org/abs/2403.08615 .