quantum-espresso topic

List quantum-espresso repositories

atomsk

187
Stars
73
Forks
Watchers

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

verified publisher icon pierrehirel

q-e

540
Stars
272
Forks
Watchers

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

verified publisher icon QEF

qe-gpu

56
Stars
22
Forks
Watchers

GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

verified publisher icon fspiga

bandup

93
Stars
51
Forks
Watchers

BandUP: Band Unfolding code for Plane-wave based calculations

verified publisher icon band-unfolding

aiida-quantumespresso

52
Stars
75
Forks
Watchers

The official AiiDA plugin for Quantum ESPRESSO

verified publisher icon aiidateam

pwtools

60
Stars
11
Forks
Watchers

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...

verified publisher icon elcorto

OpenDFT

17
Stars
5
Forks
Watchers

Open source graphical interface to various DFT/Quantum chemistry codes

verified publisher icon JannickWeisshaupt

ce-tddft

21
Stars
13
Forks
Watchers

Real-time TDDFT for Quantum-Espresso

verified publisher icon dceresoli

qe-gipaw

30
Stars
11
Forks
Watchers

QE-GIPAW for Quantum-Espresso (official repository)

verified publisher icon dceresoli

espresso

95
Stars
37
Forks
Watchers

Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

verified publisher icon pranabdas