jeffwdoak / vasp_scriptsLinks
Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
☆25Updated 7 years ago
Alternatives and similar repositories for vasp_scripts
Users that are interested in vasp_scripts are comparing it to the libraries listed below
Sorting:
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- quick analysis of vasp calculation☆36Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆45Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Visualize vibrational modes from VASP calculations☆43Updated 7 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- TDEP Tutorials☆32Updated 2 months 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
- Band structure unfolding made easy!☆54Updated last week
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Compressive sensing lattice dynamics☆28Updated 6 months ago
- Band unfolding for phonons☆56Updated 10 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated last week
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- DFT post processing tools☆25Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- python workflow for GW-BSE calculation☆29Updated 2 years ago
- DensityTool post-processing program for VASP☆31Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- ☆19Updated 6 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆38Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 months ago