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/anaddb_irreps
A simple wrapper of the phonopy irreps module for finding irreduciple representations of the phonon modes in anaddb output
mailhexu/TB2J_tutorial
Materials for the TB2J video tutorial
mailhexu/Jupyter_notebooks
mailhexu/PAOFLOW
Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
mailhexu/supercellmap
Utility to map between primitive cell and supercell.
mailhexu/abipy
Open-source library for analyzing the results produced by ABINIT
mailhexu/agate
Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface
mailhexu/aiida_siesta_plugin
Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
mailhexu/conda-staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
mailhexu/CondensedMatter_Jupyter
mailhexu/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
mailhexu/dpdata_abinit
Abinit plugin for dpdata
mailhexu/elphbolt
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
mailhexu/epwparser
Python parser to EPW files
mailhexu/flare
An open-source Python package for creating fast and accurate atomistic potentials.
mailhexu/greenX
mailhexu/interphon
Interfacial Phonon code
mailhexu/libdipdip
library for dipole-dipole interaction computation
mailhexu/mailhexu.github.io
mailhexu/myrecipes
Template files
mailhexu/p_tqdm
Parallel processing with progress bars
mailhexu/phonopy
Phonon code
mailhexu/pysotropy
python interface to isotropy
mailhexu/q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
mailhexu/qAgate
Qt interface for agate: https://github.com/piti-diablotin/agate
mailhexu/SCDM
scdm in fortran
mailhexu/siesta_flow
mailhexu/spinv
mailhexu/tutorials
Tutorial material for hands-on sessions (work in progress)
mailhexu/UsefulScripts
Some useful scripts.