bjmorgan / vasppyLinks
A Python suite for manipulating VASP input and output
☆46Updated last year
Alternatives and similar repositories for vasppy
Users that are interested in vasppy are comparing it to the libraries listed below
Sorting:
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months 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
- quick analysis of vasp calculation☆36Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- Site-Occupation Disorder☆41Updated 3 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- ☆55Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆60Updated last month
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 9 months ago
- ☆42Updated 7 years ago
- ☆26Updated 6 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- ☆36Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- A plugin to AiiDA for running simulations with VASP☆55Updated this week
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 4 months ago
- ☆44Updated 9 months ago
- Defect analysis modules for pymatgen☆49Updated last week
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆22Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 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