A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
☆43Sep 28, 2024Updated last year
Alternatives and similar repositories for vaspvis
Users that are interested in vaspvis are comparing it to the libraries listed below
Sorting:
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated 8 months ago
- Modeling and Crystallographic Utilities☆52May 23, 2023Updated 2 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- A simple way to calculate Gibbs free energy from Vasp calculations☆61Mar 6, 2025Updated 11 months ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- ☆41Feb 21, 2024Updated 2 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆57Nov 11, 2025Updated 3 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆51Oct 21, 2025Updated 4 months ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 5 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 4 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Nov 10, 2024Updated last year
- ☆27Dec 16, 2024Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- Tutorial files for alamode☆13Aug 6, 2024Updated last year
- Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP☆15Jan 2, 2022Updated 4 years ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 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
- Practical guide on how to use VASP☆26Jul 14, 2020Updated 5 years ago
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆23Mar 7, 2025Updated 11 months ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆125Feb 22, 2022Updated 4 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- ☆14May 26, 2021Updated 4 years ago
- Generate isosurface from density data☆14May 11, 2025Updated 9 months ago
- A package for plotting and manipulating 1D spectra☆12Jul 30, 2024Updated last year
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆35Apr 19, 2024Updated last year
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated 2 weeks ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆66Aug 27, 2021Updated 4 years ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 5 months ago