egplar / vasptest
A test suite for the VASP electronic structure code
☆36Updated 10 years ago
Related projects: ⓘ
- High-Performance configuration patterns and recipes.☆45Updated last week
- ☆16Updated 7 years ago
- Python framework for generating and validating pseudo potentials☆41Updated 10 months ago
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆15Updated 7 years ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆59Updated 4 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆46Updated this week
- A module for ASE for elastic constants calculation.☆35Updated last month
- A collection of command line utilities for manipulating VASP input / outpu☆24Updated 2 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆21Updated 8 years ago
- A real-space DFT code☆16Updated 3 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆36Updated last month
- ☆62Updated this week
- Course materials for NANO 106 - Crystallography of Materials☆32Updated 2 years ago
- ☆23Updated 3 months ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆71Updated 10 months ago
- Command-line utilities and Python libraries designed to make life with VASP easier☆51Updated 5 years ago
- A tool for creating and manipulating tight-binding models.☆35Updated 2 months ago
- Tutorial material for hands-on sessions (work in progress)☆22Updated 3 years ago
- A Basic Symmetry Module (Python)☆15Updated 2 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆38Updated 2 weeks ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆108Updated 3 weeks ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆18Updated 4 years ago
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆31Updated last year
- Crsytal simulation tools☆10Updated last month
- AiiDA tutorials web site☆20Updated last week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆27Updated 3 weeks ago
- ☆17Updated last week
- High throughput workflow tools for characterizing 2D materials in VASP.☆20Updated last year
- ☆21Updated this week
- ☆29Updated 2 months ago