QijingZheng / VaspVib2XSFView external linksLinks
Visualize vibrational modes from VASP calculations
☆45Jan 20, 2025Updated last year
Alternatives and similar repositories for VaspVib2XSF
Users that are interested in VaspVib2XSF are comparing it to the libraries listed below
Sorting:
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Apr 19, 2024Updated last year
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Jan 24, 2022Updated 4 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Jun 26, 2023Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 6 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
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- A general parser for VASP☆15Feb 10, 2026Updated last week
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 3 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆267Apr 27, 2025Updated 9 months ago
- Blender extensions for illustrations of phonons☆68Mar 6, 2019Updated 6 years ago
- Script library mainly about chemical physics.☆24Jun 15, 2025Updated 8 months ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years 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
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated 11 months ago
- ☆45Jul 6, 2018Updated 7 years ago
- Computes the dark matter-phonon scattering rate for a general scattering potential.☆12Mar 21, 2023Updated 2 years ago
- ☆20Jan 22, 2022Updated 4 years 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
- A Python suite for manipulating VASP input and output☆49Nov 6, 2025Updated 3 months ago
- Export Eigenvectors from Phonopy format to VESTA☆51Dec 24, 2024Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Jul 30, 2025Updated 6 months ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 years ago
- Generate isosurface from density data☆14May 11, 2025Updated 9 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆27May 25, 2023Updated 2 years ago
- ☆12Feb 28, 2020Updated 5 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Dec 1, 2020Updated 5 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 2 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Feb 9, 2026Updated last week
- ☆30May 20, 2025Updated 8 months ago
- A collection of scripts to interpret/organize VASP output files☆24Oct 13, 2016Updated 9 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago