bjmorgan / vasppy
A Python suite for manipulating VASP input and output
☆46Updated 9 months ago
Alternatives and similar repositories for vasppy:
Users that are interested in vasppy are comparing it to the libraries listed below
- Visualize vibrational modes from VASP calculations☆40Updated 2 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- Band structure unfolding made easy!☆50Updated this week
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆57Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- Site-Occupation Disorder☆42Updated last week
- Defect analysis modules for pymatgen☆47Updated last week
- ☆41Updated 6 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆25Updated 11 months ago
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- ☆50Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 10 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆47Updated 6 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 7 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 11 months ago
- ☆25Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆40Updated 3 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago