HennaAbbas / kaldo

Anharmonic Lattice Dynamics

Home Page:https://nanotheorygroup.github.io/kaldo/

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kALDo: Anharmonic Lattice Dynamics

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kALDo features real space QHGK calculations and three different solvers of the linearized BTE: direct inversion, self-consistent cycle and RTA. Below we illustrate the main features of the code

Code Architecture

Documentation

The documentation can be found here . Work in progress.

Copyright

Copyright (c) 2020, Giuseppe Barbalinardo, Zekun Chen, Nicholas W. Lundgren, Davide Donadio

Acknowledgements

We gratefully acknowledge support by the Investment Software Fellowships (grant No. ACI-1547580-479590) of the NSF Molecular Sciences Software Institute (grant No. ACI-1547580) at Virginia Tech.

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Anharmonic Lattice Dynamics

https://nanotheorygroup.github.io/kaldo/

License:BSD 3-Clause "New" or "Revised" License


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Language:Python 100.0%