FLOSIC Software Development

The FLOSIC Center is one of several Computational Chemical Sciences Centers funded by the U.S. Department of Energy in September 2017. FLOSIC (Fermi-Löwdin-orbital self-interaction correction) is Fermi orbital based formalism of computing self-interaction corrections in the electronic structures. Our research group develops simulation software that can run FLOSIC calculations in Density Functional Theory.

FLOSIC Center webpage (Click image to the site)

GitHub (Click icon to GitHub page for the public release version)

Code documentation
FLOSIC code tutorial and documentation:Click here to download.
Documentation uploaded on 10/6/19.

FLOSIC versions:
v15.09: Initial project code
v0.1: Group parallelization
v0.1.1: FLOSIC-PBE
v0.2: All functionalities from v0.1.x merged together
v0.3: Underpreparation (includes scaled-SIC methods, r2SCAN, libxc5 interface, etc.)