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/TB2J
a python package for computing magnetic interaction parameters
mailhexu/pyDFTutils
A python package of utils for DFT, Tight binding, etc.
mailhexu/TB2J_examples
Examples for the TB2J code
mailhexu/TB2J-OpenMX
The TB2J interface to OpenMX.
mailhexu/banddownfolder
Downfold electron/phonon/magnon/etc Hamiltonian
mailhexu/lawaf
This package is for constructing of the LAttice Wannier Functions and other types of Wannier functions.
mailhexu/minimulti
Minimal but multi models in condensed matter physics (and more).
mailhexu/abinit_web
All stuff related to the ABINIT web site : html pages, documents, figures (incl. pseudopotential) ...
mailhexu/multipyles
mailhexu/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
mailhexu/DWBuilder
Ferroelectric/Ferroelastic domain wall builder
mailhexu/HamiltonIO
A library of IO of Hamiltonian files of DFT codes
mailhexu/hexu_doc
mailhexu/hexu_doc2
mailhexu/homebrew-tap
Homebrew tap for Abinit
mailhexu/isomode
mailhexu/matgl
Graph deep learning library for materials
mailhexu/Matjes
MC and SD
mailhexu/ollama-voice-mac
Mac compatible Ollama Voice
mailhexu/Pseudopotentials
Collection of pseudopotentials
mailhexu/pypolymlp
Generator of polynomial machine learning potentials
mailhexu/PyProcar
A python package for analyzing PROCAR files obtained from VASP and Abinit
mailhexu/pyWannier90
A Wannier90 python interface for VASP and PySCF
mailhexu/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
mailhexu/spindy
Simple spin dynamics
mailhexu/swirl
The SWIRL code is a python implementation of the "Estimated Vortex Center" (EVC) method for an automated identification of vortices in two-dimensional velocity fields.
mailhexu/Wannier.jl
A playground for Wannier functions
mailhexu/Wannier.jl-TB2J-tests
mailhexu/wannier90io-python
A Python library for reading and writing Wannier90 files.
mailhexu/WannierDatasets
Pre-computed datasets for Wannier.jl