rehnd / VASP-plot-modes
Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
☆32Updated last year
Alternatives and similar repositories for VASP-plot-modes:
Users that are interested in VASP-plot-modes are comparing it to the libraries listed below
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 4 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- Occupation matrix control modification VASP☆46Updated 5 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last week
- KPROJ: A Band Unfolding Program☆40Updated 3 months ago
- A collection of examples for running different types of VASP calculations.☆30Updated 8 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 5 months ago
- ☆28Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 10 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated last year
- some toolkits for VASP☆29Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Band unfolding for phonons☆54Updated 6 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- DFT post processing tools☆24Updated 9 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆57Updated this week
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- ☆19Updated 5 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 3 weeks ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Band structure unfolding made easy!☆53Updated last week