/PublicRelease

FLOSIC code public release

Primary LanguageFortranGNU General Public License v3.0GPL-3.0

FLOSIC code public release

FLOSIC18

FLOSIC18 is an electronic structure software package that implements the FERMI-LOWDIN Self-interaction correction (FLO-SIC) method for atoms and molecules. FLO-SIC removes self-interaction errors from density functional theory calculations.

Documentation

For more information on how to use FLOSIC18, please see the file FLOSIC_Tutorials_and_Documentation.pdf included in the download.

Support

Help for using FLOSIC18 can be obtained by using the FLOSIC mail server: electronic_structure_lab@listserv.utep.edu

Acknowledgments

FLOSIC18 was developed with the support of the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division, as part of the Computational Chemical Sciences Program.