rjacobs914 / VASP-ToolsLinks
A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP package
☆17Updated 7 years ago
Alternatives and similar repositories for VASP-Tools
Users that are interested in VASP-Tools are comparing it to the libraries listed below
Sorting:
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Updated 2 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆26Updated 2 years ago
- ☆19Updated 6 years ago
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated last year
- quick analysis of vasp calculation☆38Updated last year
- ☆22Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Utility scripts and programs for VASP calculations☆19Updated last week
- Script to generate distorted perovskite structures☆12Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- ☆21Updated 11 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Updated last week
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 10 months ago
- Visualize vibrational modes from VASP calculations☆44Updated 10 months ago
- ☆13Updated 2 years ago
- TDEP Tutorials☆34Updated 6 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 4 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year