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sqr_lattice_electronics

The electronic properties of a square lattice.

sun

surfgf

surface green function calculation

svg_parser

tb

Tight binding package. Define effective tight binding systems (instances of the class tb.sc.SuperCell) and create the tight binding matrix using the method tbmat(). Several common tight binding models are predefined in the submodule define.

tbtool

tightbinding

Rust tools for tight-binding calculations

tmd

Utilities for transition metal dichalcogenide DFT and Wannier analysis

topins2

Topological Superconductors - Notebooks for an introductory course

topocm_content

Course on topology in condensed matter

topology

Calculate bandstructures, DOS, spectral function, chern number and Z2 invariant from a given tight-binding Hamiltonian

unitcell

Class to create and manipulate crystal unit cell data.

vasp

Python program to evaluate off-resonance Raman activity using VASP code as the backend.

vasp-elastic

Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities

vasp-matlab

Scripts for creating, reading, visualizing, analyzing data, etc for files for DFT calculations using VASP.

vasp-pv

A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation

vasp_tdm

Transition Dipole Moments from VASP WAVECAR

vasp_unfold

vaspwfc

create wavefunction file from selected spin, kpoint and band index in VASP wavecar

vaspy

Manipulating VASP files with Python.

wannhall

Calculates Hall conductivity using wannier interpolation

wannier

Julia code for the computation of Wannier functions

wannier90_utilities

This repository contains a set of Python scripts that work as utilities to the "wannier90" open-source code

wannier_tools

Wannier tools set for topological novel materials

wantop

use wannier to do topological things shift conductance

wavecar-analysis

z2inv