CJBartel / perovskite-stabilityLinks
☆39Updated 6 years ago
Alternatives and similar repositories for perovskite-stability
Users that are interested in perovskite-stability are comparing it to the libraries listed below
Sorting:
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- Band structure unfolding made easy!☆53Updated this week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆72Updated last year
- Site-Occupation Disorder☆42Updated 4 months ago
- Generate random alloys and compute various properties☆57Updated 8 months ago
- Automatic generation of crystal structure descriptions.☆123Updated 3 weeks ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 2 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- ☆56Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 10 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- A module for ASE for elastic constants calculation.☆46Updated 6 months ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- quick analysis of vasp calculation☆36Updated last year
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆45Updated last year
- Course materials for NANO 106 - Crystallography of Materials☆35Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- ☆17Updated 5 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago