Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
☆27Oct 23, 2015Updated 10 years ago
Alternatives and similar repositories for VASP-Elastic
Users that are interested in VASP-Elastic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ELATE: Elastic tensor analysis☆90Sep 24, 2025Updated 10 months ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆39Apr 28, 2016Updated 10 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated 9 months ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 6 years ago
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated last year
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 8 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 11 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 10 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Python interface for VASP☆100Aug 4, 2026Updated last week
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Sep 11, 2022Updated 3 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Aug 3, 2026Updated last week
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆56Mar 20, 2024Updated 2 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Mar 7, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆15Nov 21, 2023Updated 2 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆20Feb 19, 2016Updated 10 years ago
- Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP☆16Jan 2, 2022Updated 4 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jul 16, 2026Updated 3 weeks ago
- A phonon irreducible representations calculator☆24Apr 11, 2024Updated 2 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- A module for ASE for elastic constants calculation.☆49Jan 5, 2026Updated 7 months ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 7 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 7 months ago
- Useful scripts in Computaional Material Science.☆23Apr 13, 2026Updated 3 months ago
- An introduction to DFT.☆15May 17, 2024Updated 2 years ago
- ☆19Aug 10, 2023Updated 3 years ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- A simulation package of phonon-phonon interaction related properties☆165Updated this week