ruoitrau86 / csld

Compressive sensing lattice dynamics

A comprehensive package to study lattice dynamics from first-principles. The interatomic force constants were fitted using the compressive sensing algorithm.

Getting Started

To install CSLD, make sure you have Python, C++ and Fortran 90 compilers. Then:

$ git clone https://github.com/LLNL/csld.git
$ cd csld
$ ./setup.py install --user

Documentation

Check out manual.pdf

Get Involved

TBD

Contributing

Contributing to CSLD is relatively easy. Just send us a pull request.

CSLD is distributed under the terms of the MIT license. All new contributions must be made under this license.

Authors

CSLD was created by Fei Zhou, [e-mail].

Citing CSLD

If you are referencing CSLD in a publication, please cite the following paper:

• Fei Zhou, Weston Nielson, Yi Xia, and Vidvuds Ozolins, Phys. Rev. Lett. 113, 185501, (2014)

• Fei Zhou et al, arxiv:1805.08903, arxiv:1805.08904

License

CSLD is distributed under the terms of the MIT license.

LLNL-CODE-777818

SPDX-License-Identifier: MIT