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Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
Created
2018-02-02
24,978 commits to develop branch, last one about a month ago
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Created
2016-07-07
430 commits to master branch, last one 8 days ago
Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
Created
2017-08-15
121 commits to main branch, last one 2 months ago
BandUP: Band Unfolding code for Plane-wave based calculations
Created
2014-01-05
302 commits to master branch, last one 3 years ago
A library of ultrasoft and PAW pseudopotentials
Created
2017-02-14
141 commits to master branch, last one 2 years ago
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with so...
ase
cp2k
cpmd
lammps
python
sqlite
preprocessing
postprocessing
parameter-sweep
quantum-espresso
kernel-regression
molecular-dynamics
polynomial-regression
radial-basis-function
kernel-ridge-regression
multivariate-regression
quasi-harmonic-approximation
radial-distribution-function
radial-pair-correlation-function
Created
2016-02-05
1,393 commits to master branch, last one 8 months ago
The official AiiDA plugin for Quantum ESPRESSO
Created
2017-06-20
914 commits to main branch, last one 2 days ago
This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Saito...
Created
2019-07-03
42 commits to master branch, last one 5 months ago
Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
Created
2017-02-14
1,845 commits to master branch, last one 20 days ago