bjmorgan / VASP-UtilitiesLinks
A collection of command line utilities for manipulating VASP input / outpu
☆25Updated 3 years ago
Alternatives and similar repositories for VASP-Utilities
Users that are interested in VASP-Utilities are comparing it to the libraries listed below
Sorting:
- Visualizations☆14Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 3 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- quick analysis of vasp calculation☆38Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- ☆12Updated 5 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Updated 3 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- ☆22Updated 2 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 8 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Updated 8 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Updated 3 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Updated 10 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- A module for ASE for elastic constants calculation.☆47Updated last month
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 3 years ago
- DFT post processing tools☆26Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 5 years ago
- DensityTool post-processing program for VASP☆31Updated 2 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Updated 9 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17Updated 6 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- ☆29Updated last year
- Magnetic critical temperature Calculator☆17Updated last year
- A physics computational framework for python and ipython☆39Updated 6 months ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Updated 11 years ago