zx-sdu's repositories
aiida-bands-inspect
AiiDA plugin for the bands-inspect code.
aiida-tbextraction
AiiDA workflows for automatically creating first-principles based tight-binding models.
aiida-wannier90-workflows
A collection of advanced automated workflows to computer Wannier functions using AiiDA and the Wannier90 code
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
crystaltoolkit
Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.
fireworks
The Fireworks Workflow Management Repo.
hello-world
learing the github
irvsp
to compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp) -------------------- Please cite arXiv:2002.04032 when you use any code in this repository.
learn-python3
Learn Python 3 Sample Code
matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
PhaseMap
A tool for efficiently calculating discrete phase diagrams.
phonopy
Phonon code
PyCrystalField
Code to calculate the crystal field Hamiltonian of magnetic ions.
semicon
k·p simulations made easy
shadowsocks-windows
If you want to keep a secret, you must also hide it from yourself.
TBFIT
Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
VaspVib2XSF
Visualize vibrational modes from VASP calculations
wannier-berri
Advanced tool for Wannier interpolation and integration of k-space integrals
wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation: