koerper / baderVisLinks
Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP
☆15Updated 3 years ago
Alternatives and similar repositories for baderVis
Users that are interested in baderVis are comparing it to the libraries listed below
Sorting:
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆25Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆27Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- ☆27Updated 9 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- A Python suite for manipulating VASP input and output☆48Updated 2 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- Band structure unfolding made easy!☆57Updated last month
- ☆12Updated 2 years ago
- ☆44Updated 7 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 3 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 3 months ago
- Visualize vibrational modes from VASP calculations☆43Updated 8 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…☆14Updated 5 years ago
- ☆36Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 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
- some toolkits for VASP☆31Updated 4 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆40Updated 7 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆25Updated last year
- A for finding optimized SQS structures tool written in C++☆51Updated last week
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Practical guide on how to use VASP☆23Updated 5 years ago