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:
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- Magnetic critical temperature Calculator☆17Updated last year
- ☆12Updated 5 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 4 months 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
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Updated 7 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 7 years ago
- Tutorials for Quantum Espresso☆24Updated 3 years ago
- Visualizations☆14Updated 3 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Updated 10 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- ☆22Updated 2 years ago
- ☆29Updated last year
- ☆20Updated 2 years ago
- ☆31Updated 6 months 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
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated 2 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Updated 10 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆24Updated 11 months ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆18Updated 9 years ago
- A physics computational framework for python and ipython☆38Updated 4 months ago