☆13Feb 11, 2026Updated 3 weeks ago
Alternatives and similar repositories for elastic_vasp
Users that are interested in elastic_vasp are comparing it to the libraries listed below
Sorting:
- The documentation site for TDEP.☆28Aug 17, 2023Updated 2 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 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
- A module for ASE for elastic constants calculation.☆47Jan 5, 2026Updated last month
- 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
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated 2 weeks ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- ☆62Jul 19, 2022Updated 3 years ago
- Solvation model for the plane wave DFT code VASP.☆171Oct 1, 2025Updated 5 months ago
- Script library mainly about chemical physics.☆25Jun 15, 2025Updated 8 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆66Nov 26, 2025Updated 3 months ago
- generator of simple atomistic models☆28Sep 13, 2018Updated 7 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Jan 12, 2026Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Nov 10, 2025Updated 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…☆10Sep 23, 2024Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆84May 15, 2025Updated 9 months ago
- Simmate is a full-stack framework for chemistry research.☆36Updated this week
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- ☆41Feb 21, 2024Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆35Apr 19, 2024Updated last year
- p4vasp, the VASP Visualization Tool☆154May 21, 2022Updated 3 years ago
- Atomistic Manipulation Toolkit☆36Aug 27, 2025Updated 6 months ago
- ELATE: Elastic tensor analysis☆91Sep 24, 2025Updated 5 months ago
- MiTMoJCo (Microscopic Tunneling Model for Josephson Contacts) is C and Python code for simulating dynamics of superconducting Josephson j…☆10Feb 9, 2023Updated 3 years ago
- Generator of polynomial machine learning potentials☆19Updated this week
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Pragmatic scripts to plot and process VASP output, mostly for MD.☆12Oct 15, 2020Updated 5 years ago
- A conda-smithy repository for lammps.☆10Sep 12, 2025Updated 5 months ago
- LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals☆42Sep 22, 2025Updated 5 months ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆15Aug 15, 2025Updated 6 months ago
- ☆11Aug 29, 2022Updated 3 years ago
- Electronic transport properties from first-principles calculations☆158Updated this week
- Python interface for VASP☆90Updated this week
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 4 years ago
- Teaching material for the course Advanced Quantum Materials at Aalto University☆73Jun 20, 2025Updated 8 months ago