Package for calculating simple band structures and analyzing the results
Project description
Pybandstructure (version 2.0)
Band structure calculator for simple models. Allows easy implementation of simple periodic Hamiltonians including tight binding or plane waves models. Results can be analyzed to extract thermodynamical properties, density of states, and optical conductivity. A submodule is devoted to the implementation of superlattice hamiltonians.
Installation
The package can be installed from the Python Package Index as
pip install pybandstructure
or downloaded from the repository.
Documentation
Documentation is hosted by Read the Docs.
Examples
Please refer to the repository for example notebooks illustrating the main features.
New in version 2.0
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Automatic generation of Brillouin zone samples for arbitrary geometries.
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Calculation of self-consistent energy bands.
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Calculation of non-local polarization function.
License
The package is distributed under the GNU Lesser General Public License v3 (LGPLv3).
Cite as
If you use Pybandstructure for your research please cite
P. Novelli, I. Torre, F.H.L. Koppens, F. Taddei, and M. Polini
"Optical and plasmonic properties of twisted bilayer graphene: Impact of interlayer tunneling asymmetry and ground-state charge inhomogeneity"
Phys. Rev. B 102, 125403 (2020).
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