Pinned Repositories
anaddb_irreps
A simple wrapper of the phonopy irreps module for finding irreduciple representations of the phonon modes in anaddb output
banddownfolder
Downfold electron/phonon/magnon/etc Hamiltonian
lawaf
This package is for constructing of the LAttice Wannier Functions and other types of Wannier functions.
minimulti
Minimal but multi models in condensed matter physics (and more).
pyDFTutils
A python package of utils for DFT, Tight binding, etc.
TB2J
a python package for computing magnetic interaction parameters
TB2J-OpenMX
The TB2J interface to OpenMX.
TB2J_examples
Examples for the TB2J code
TB2J_tutorial
Materials for the TB2J video tutorial
wannier90
Official repository of the Wannier90 code
mailhexu's Repositories
mailhexu/wannier90
Official repository of the Wannier90 code
mailhexu/JuliaDFT
A density functional theory (DFT) package using Julia.
mailhexu/TBmodels
A tool for creating and manipulating tight-binding models.
mailhexu/abiflows
High-throughput calculations with Abinit
mailhexu/aiida_siesta_plugin
Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
mailhexu/ConverttoDDB
The converter from phonopy files to abinit DDB files.
mailhexu/flos
Lua scripts for interfacing SIESTA to Lua scripts using the flook code
mailhexu/pybinding
Scientific Python package for tight-binding calculations in solid state physics
mailhexu/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.