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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 10 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Materials Science Scripts☆13Aug 28, 2025Updated 11 months ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 7 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Crsytal simulation tools☆10Updated this week
- Thermodynamic Phase Diagram Generator☆61Mar 5, 2022Updated 4 years ago
- Examples for the TB2J code☆22Oct 9, 2025Updated 10 months ago
- elastic_vasp is a VASP-based Python tool that generates strained structures and extracts elastic constants from strain-energy calculati…☆15Apr 14, 2026Updated 4 months ago
- Electronic transport properties from first-principles calculations☆163Updated this week
- A poor man's density functional theory program☆14May 18, 2026Updated 2 months ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated last year
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Feb 16, 2022Updated 4 years ago
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 3 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 6 months 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 last year
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Aug 19, 2022Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A suite of computational materials science tools.☆146Jun 29, 2026Updated last month
- Simulating 2D Ising model with Monte Carlo Method in Matlab.☆15Sep 16, 2018Updated 7 years ago
- A test suite for the VASP electronic structure code☆39Jan 23, 2014Updated 12 years ago
- Command-line utilities and Python libraries designed to make life with VASP easier☆56Aug 30, 2019Updated 6 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Updated this week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated last year
- materials.sh☆10Sep 8, 2019Updated 6 years ago
- ☆11Apr 5, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- Effective Mass Calculator for Semiconductors☆111Oct 12, 2020Updated 5 years ago
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆85Jul 27, 2026Updated 2 weeks ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- NIST Interatomic Potential Repository property calculation tools☆23Aug 6, 2026Updated last week