egplar / vasptestLinks
A test suite for the VASP electronic structure code
☆39Updated 11 years ago
Alternatives and similar repositories for vasptest
Users that are interested in vasptest are comparing it to the libraries listed below
Sorting:
- High-Performance configuration patterns and recipes.☆45Updated this week
- ☆17Updated 8 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 3 months ago
- Python framework for generating and validating pseudo potentials☆46Updated last year
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆16Updated 8 years ago
- Benchmark calculations with Quantum Espresso☆15Updated last year
- ☆29Updated last year
- JDFTx: software for joint density functional theory☆92Updated last week
- A real-space DFT code☆16Updated 4 years ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated last month
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 3 weeks ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- A tool for creating and manipulating tight-binding models.☆40Updated 7 months ago
- Fermi surface generation, analysis and visualisation.☆96Updated this week
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- BerkeleyGW python☆31Updated 3 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Updated 9 years ago
- Command-line utilities and Python libraries designed to make life with VASP easier☆56Updated 6 years ago
- Atomistic Manipulation Toolkit☆36Updated last month
- ☆28Updated 2 weeks ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆50Updated this week
- Multiple Scattering Theory code for first principles calculations☆69Updated last week
- A physics computational framework for python and ipython☆38Updated 2 months ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- Official mirror of Quantum ESPRESSO☆47Updated 7 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆52Updated last month
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 5 years ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 3 weeks ago