☆13Feb 11, 2026Updated 2 months ago
Alternatives and similar repositories for elastic_vasp
Users that are interested in elastic_vasp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- The documentation site for TDEP.☆28Aug 17, 2023Updated 2 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 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.
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆31Jan 12, 2026Updated 3 months ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆11Sep 23, 2024Updated last year
- ☆62Jul 19, 2022Updated 3 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆137Apr 7, 2026Updated last week
- Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)☆18Apr 19, 2022Updated 3 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 9 months ago
- A module for ASE for elastic constants calculation.☆47Jan 5, 2026Updated 3 months ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆65Nov 26, 2025Updated 4 months ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Nov 10, 2025Updated 5 months ago
- generator of simple atomistic models☆28Sep 13, 2018Updated 7 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Aug 19, 2025Updated 7 months ago
- Simmate: a full-stack framework for chemistry research.☆38Updated this week
- Just for Fun☆17Mar 8, 2025Updated last year
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆23Sep 9, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆10Feb 23, 2018Updated 8 years ago
- ☆46Jul 6, 2018Updated 7 years ago
- Solvation model for the plane wave DFT code VASP.☆173Oct 1, 2025Updated 6 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆85May 15, 2025Updated 10 months ago
- A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).☆23Feb 15, 2026Updated last month
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆25Dec 17, 2025Updated 3 months ago
- ☆42Feb 21, 2024Updated 2 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 5 years 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.
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- Teaching materials for the text analytics course☆19Jul 16, 2018Updated 7 years ago
- ☆11Aug 11, 2016Updated 9 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year