Band alignment plotting tool
☆26Mar 28, 2025Updated last year
Alternatives and similar repositories for bapt
Users that are interested in bapt are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆31Jan 12, 2026Updated 2 months ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Dealing with slabs for first principles calculations of surfaces☆66Sep 17, 2023Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆51Nov 6, 2025Updated 5 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆85May 15, 2025Updated 10 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Transition Dipole Moments from VASP WAVECAR☆25Oct 2, 2022Updated 3 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆31Sep 8, 2024Updated last year
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Jan 24, 2022Updated 4 years ago
- Defect structure-searching employing chemically-guided bond distortions☆116Mar 4, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆25Jun 9, 2020Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Heavyweight plotting tools for ab initio calculations☆245May 7, 2025Updated 11 months ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 6 years ago
- Some ongoing projects in Zhu's group☆28Mar 31, 2024Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Mar 27, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆75Updated this week
- Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…☆31Mar 29, 2023Updated 3 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆244Apr 3, 2026Updated last week
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Jan 17, 2026Updated 2 months ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- Thermodynamic Phase Diagram Generator☆57Mar 5, 2022Updated 4 years ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- VASP Integrated Supporting Environment☆27Nov 10, 2025Updated 4 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.
- Python tools for Quantum ESPRESSO☆38Apr 1, 2026Updated last week
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 4 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆30Oct 30, 2022Updated 3 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Feb 16, 2022Updated 4 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆137Updated this week