Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
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Updated
Aug 3, 2024 - Python
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
Post-processing toolkit for electronic structure calculations
Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
Matplotlib wrapper for WIEN2k post-processing
Demonstration of a simple data visualization dashboard for electronic structure data in a Jupyter notebook.
Decimation of the Green function in graphene nanoribbons
velocity.py reads in GROMACS trr trajectory (that inclides velocity information) and calculates center of mass translational velocity and angular velocity. It also computes translational and rotational kinetic energies, temperatures, velocity autocorrelation functions and power spectra
Small tool to plot dos, bandstructure and dos+bandstructure with python's matplotlib, using the files generated by vaspkit
Post-processing scripts for VASP output files, with focus on gnuplot formats
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