jabl / vasputilLinks
Command-line utilities and Python libraries designed to make life with VASP easier
☆56Updated 6 years ago
Alternatives and similar repositories for vasputil
Users that are interested in vasputil are comparing it to the libraries listed below
Sorting:
- A module for ASE for elastic constants calculation.☆47Updated last month
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Updated 2 years ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated 3 weeks ago
- Band unfolding for phonons☆58Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆105Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Visualise lattice vibrations☆107Updated 8 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 3 months ago
- A plugin to AiiDA for running simulations with VASP☆60Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Updated 4 years ago
- ☆62Updated 3 years ago
- AiiDAlab App for Quantum ESPRESSO☆26Updated this week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 8 months ago
- Modeling and Crystallographic Utilities☆52Updated 2 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆69Updated 3 months ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Python interface for VASP☆89Updated this week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆58Updated 2 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 4 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆181Updated last week
- Band structure unfolding made easy!☆60Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 4 months ago
- Electronic transport properties from first-principles calculations☆158Updated last week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 5 months ago