A curated list of delightful Quantum ESPRESSO resources and tools
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Updated
Jun 30, 2017
A curated list of delightful Quantum ESPRESSO resources and tools
A python package to help with quantum espresso calculations. Prepares inputs, parses outputs, performs analysis.
A wrapper for Quantum Espresso input and XML output (6.2) in early stages.
Pre- and post-processing tools for Quantum Espresso
Autobuild script for QE-Docset.
Command Line Tool for quantum chemistry simulation package
Time-dependent density functional theory post-processing scripts for Quantum Espresso & ce-tddft output files
parser plugins for the jsonextended package
Python script for generating points of high symmetry in band structure calculation. Currently this code supports Quantum Espresso
Developer version of QE including SCAN functional support
Interatomic potential creating using DFT training data.
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
Python scripts to postprocess Quantum Espresso calclations.
Ab initio calculation of the spin Hall conductivity in topological insulators using Quantum ESPRESSO and Wannier90 codes.
converts a VASP POSCAR to a Quantum ESPRESSO input file
Materials Simulation Environment
Ab initio calculation of the fully-relativistic electronic band structure of the group 14 monolayers using Quantum ESPRESSO
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