jochym / ElasticLinks
A module for ASE for elastic constants calculation.
☆47Updated 10 months ago
Alternatives and similar repositories for Elastic
Users that are interested in Elastic are comparing it to the libraries listed below
Sorting:
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 3 months ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated last week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆69Updated last year
- potfit force-matching code☆42Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 7 months ago
- generator of simple atomistic models☆28Updated 7 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- quick analysis of vasp calculation☆38Updated last year
- Band structure unfolding made easy!☆58Updated 2 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆82Updated 7 months ago
- Compressive sensing lattice dynamics☆32Updated 10 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- Site-Occupation Disorder☆47Updated 8 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 7 months ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Updated 2 years ago
- ☆72Updated 2 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆65Updated last month
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Updated 2 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A plugin to AiiDA for running simulations with VASP☆60Updated last week
- A lightweight python package for reading and writing VASP ML_AB files☆42Updated 10 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated 2 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- A grain boundary generation code☆79Updated 2 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆42Updated last year
- Band unfolding for phonons☆58Updated last year