quantum-espresso topic
pbcpy
Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy
xconfigure
High-Performance configuration patterns and recipes.
dftfit
Interatomic potential creating using DFT training data.
tilde
Materials informatics framework for ab initio data repositories
DFTtoolbox
A toolbox for quickly build inputs and analyze results of DFT codes
ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
vipster
Visualization and editing of periodic molecular structure files.
Express.jl
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
elk-w90-improved
An interface for ELK-Wannier90 calculations
elphmod
Python modules for electron–phonon models