py4mulas: a package for quantum transport response formulas and operators of periodic sytems in momentum space
Project description
Py4mulas is designed to start from a periodic Hamiltonian and compute tranport responses given spin, charge or orbital operators. It implements a generalized framework to define Kubo-like formulas in linear response and beyond. It also provides tools to visualize the system's band stracture with any operator expectation values along a path in momentum space, and compute momentum resolved quantities such as densities, currents and Berry curvatures. It can simulate different trasport phenomena in momentum space including linear and nonlinear Hall, Spin Hall, Orbital Hall and Octupole Hall effects.
Contributing
There is always room to improvement. Contributions to the project are most welcome! If you encounter any bugs or have suggestions for improvements, please feel free to open an issue or submit a pull request. For any related discussion please feel free to contact me at ousmanebouneoumar@gmail.com.
Citing
To appropriately cite Py4mulas please see instructions at CITING
Documentation
Py4mulas documentation is hosted on READ THE DOCS
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