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amset

Electronic transport properties from first-principles calculations

api_phonons

This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.

ascii-phonons

Blender extensions for illustrations of phonons

banddownfolder

Downfold electron/phonon/magnon/etc Hamiltonian

bands4vasp

bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors and spectral functions.

banduppy

Python version ofthe BandUP code

csld

Compressive sensing lattice dynamics

dmftwdft

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages

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dynaphopy

Phonon anharmonicity analysis from molecular dynamics

easyunfold

Band structure unfolding made easy!

elastool

A toolkit for automatic calculation and analysis of elastic constants

fold2bloch-vasp

Unfolding the band structure of a supercell obtained with VASP

force_constant_analysis

Analysis tools for phonons

interphon

Interfacial Phonon code

julia-phonons

Julia codes to play with Phonons

kappa-ml

Data and code for journal publication on "A unified understanding of minimum lattice thermal conductivity"

kproj-band-unfolding

KPROJ: A Band Unfolding Program

mpea_dataset

Expanded dataset of mechanical properties and observed phases of multi-principal element alloys

nebgen

A script to prepare POSCAR's for NEB calculations with VTST and DiSPy.

nudge-elastic-band-vasp

NEB technique for HEAs

phono3py

A simulation package of phonon-phonon interaction related properties

phonon-analysis-tools

Pre- and post-processing tools for phonon-based calculations

phonon-lifetimes

A script to compute (phonon) power-spectra, and corresponding frequencies and phonon-lifetimes from atomic positions obtain by molecular dynamics.

phonon_angular_momentum

phonon_unfolding

A Fortran90 program for unfolding phonon dispersions

phonopy_vesta

Export Eigenvectors from Phonopy format to VESTA

piezo-files

pydefect

Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.

pyqt_vasp_stm