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:
- Python framework for generating and validating pseudo potentials☆44Updated last year
- High-Performance configuration patterns and recipes.☆46Updated this week
- Command-line utilities and Python libraries designed to make life with VASP easier☆55Updated 5 years ago
- ☆17Updated 7 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- ☆29Updated last year
- A tool for creating and manipulating tight-binding models.☆40Updated 5 months ago
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- Official mirror of Quantum ESPRESSO☆49Updated 7 years ago
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆15Updated 8 years ago
- A real-space DFT code☆16Updated 4 years ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated 3 weeks ago
- Fermi surface generation, analysis and visualisation.☆95Updated last week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆49Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆138Updated 4 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated this week
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆87Updated last month
- Multiple Scattering Theory code for first principles calculations☆68Updated 3 weeks ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 4 years ago
- Interface to DFT codes. Supported by the Flatiron Institute.