jabl / vasputil
Command-line utilities and Python libraries designed to make life with VASP easier
☆54Updated 5 years ago
Alternatives and similar repositories for vasputil:
Users that are interested in vasputil are comparing it to the libraries listed below
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Occupation matrix control modification VASP☆45Updated 5 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Band structure unfolding made easy!☆50Updated this week
- Blender extensions for illustrations of phonons☆64Updated 6 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- A collection of scripts to interpret/organize VASP output files☆23Updated 8 years ago
- A Python suite for manipulating VASP input and output☆46Updated 9 months ago
- A module for ASE for elastic constants calculation.☆41Updated 2 months ago
- A collection of examples for running different types of VASP calculations.☆30Updated 8 years ago
- ☆29Updated 9 months ago
- Phonon anharmonicity analysis from molecular dynamics☆123Updated 5 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Band unfolding for phonons☆54Updated 5 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46Updated 6 years ago
- ☆65Updated last month
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆74Updated last year
- BURAI, a GUI system of Quantum ESPRESSO☆63Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆40Updated 2 months ago
- A plugin to AiiDA for running simulations with VASP☆50Updated last week
- Modeling and Crystallographic Utilities☆50Updated last year
- BerkeleyGW python☆31Updated 3 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆47Updated 6 months ago
- ☆50Updated 2 years ago