Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
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Updated
May 8, 2024 - Fortran
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
BandUP: Band Unfolding code for Plane-wave based calculations
GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
QE-GIPAW for Quantum-Espresso (official repository)
Real-time TDDFT for Quantum-Espresso
An interface for ELK-Wannier90 calculations
A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
Time-dependent density functional theory post-processing scripts for Quantum Espresso & ce-tddft output files
A code for evolutionary optimization of PAW datasets especially for high-pressure applications
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO
Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1
Developer version of QE including SCAN functional support
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