Paweł T. Jochym

phonopy

Last released Nov 13, 2024

This is the phonopy module.

elastic

Last released Aug 20, 2024

Extension for ASE to calculate elastic constants

spglib

Last released Jul 11, 2024

This is the spglib module.

hecss

Last released May 18, 2022

High Efficiency Configuration Space Sampler

dxutils

Last released Nov 16, 2021

A small toolbox for computational solid state physics

pyspglib

Last released Dec 22, 2015

This is the pyspglib module.

qeutil

Last released May 21, 2014

A set of utilities for Quantum Espresso

ASE-QE

Last released Dec 19, 2013

ASE interface to Quantum-Espresso