A comprehensive package to study lattice dynamics from first-principles. The interatomic force constants were fitted using the compressive sensing algorithm.
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
Check out manual.rst
TBD
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.
CSLD was created by Fei Zhou, fzhou@llnl.gov.
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, Phys. Rev. B 100, 184308 (2019), Phys. Rev. B 100, 184309 (2019)
CSLD is distributed under the terms of the MIT license.
LLNL-CODE-777818
SPDX-License-Identifier: MIT