koerper / baderVis
Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP
☆14Updated 3 years ago
Alternatives and similar repositories for baderVis:
Users that are interested in baderVis are comparing it to the libraries listed below
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 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…☆20Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Tools for Phono(3)py power users.☆31Updated last year
- Visualize vibrational modes from VASP calculations☆37Updated last week
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- A Python package for enhancing VASP AIMD simulations and analysis☆12Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- Band structure unfolding made easy!☆45Updated 2 weeks ago
- Script to generate distorted perovskite structures☆10Updated 11 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆23Updated 4 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 9 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆17Updated 2 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆12Updated 4 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- ☆18Updated 5 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- A Python suite for manipulating VASP input and output☆45Updated 7 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago
- TDEP Tutorials☆24Updated last month
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆26Updated 3 weeks ago
- ☆22Updated last month
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago