A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
☆23Nov 15, 2015Updated 10 years ago
Alternatives and similar repositories for Vasp-PV
Users that are interested in Vasp-PV are comparing it to the libraries listed below
Sorting:
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Dec 31, 2025Updated 2 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Oct 23, 2015Updated 10 years ago
- Thermodynamic Phase Diagram Generator☆58Mar 5, 2022Updated 4 years ago
- Materials Science Scripts☆13Aug 28, 2025Updated 6 months ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- ☆13Feb 11, 2026Updated 3 weeks ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- Script library mainly about chemical physics.☆25Jun 15, 2025Updated 8 months ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆19Oct 29, 2025Updated 4 months ago
- materials.sh☆10Sep 8, 2019Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Aug 6, 2021Updated 4 years ago
- Crsytal simulation tools☆10Feb 24, 2026Updated last week
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Feb 23, 2026Updated last week
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago
- A poor man's density functional theory program☆14Feb 1, 2026Updated last month
- Tools related to X-ray absorption spectroscopy (XAS)☆19Jul 5, 2024Updated last year
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 7 months ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated last month
- A suite of computational materials science tools.☆142Apr 3, 2024Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- Examples for the TB2J code☆19Oct 9, 2025Updated 4 months ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Aug 19, 2022Updated 3 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆19Aug 2, 2023Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆35Apr 19, 2024Updated last year
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated last month
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- Simulating 2D Ising model with Monte Carlo Method in Matlab.☆15Sep 16, 2018Updated 7 years ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 2 weeks ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated 10 months 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
- Electronic transport properties from first-principles calculations☆158Updated this week
- Resources for teaching quantum chemistry courses in Bonn☆41Jul 23, 2025Updated 7 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆83Updated this week
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆24Nov 21, 2025Updated 3 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year