JMSkelton / VASP-Examples
A collection of examples for running different types of VASP calculations.
☆29Updated 8 years ago
Alternatives and similar repositories for VASP-Examples:
Users that are interested in VASP-Examples are comparing it to the libraries listed below
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- ☆26Updated 2 years ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- some toolkits for VASP☆28Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 2 months ago
- DFT post processing tools☆23Updated 7 months ago
- quick analysis of vasp calculation☆35Updated 8 months ago
- KPROJ: A Band Unfolding Program☆38Updated 3 weeks ago
- Visualize vibrational modes from VASP calculations☆39Updated last month
- Band unfolding for phonons☆52Updated 4 months ago
- python workflow for GW-BSE calculation☆25Updated last year
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 9 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Tools for Phono(3)py power users.☆32Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆35Updated 6 months ago
- A Python suite for manipulating VASP input and output☆45Updated 8 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆67Updated 6 months ago
- Interfacial Phonon code☆25Updated 2 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- Some useful vasp scripts and tools☆22Updated 5 years ago
- ☆29Updated 8 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 3 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago