FLOSIC18
FLOSIC18 is an electronic structure code written in FORTRAN. The code implements the Fermi-Lowdin orbital self-interaction correction for atoms and molecules. It can be compiled and run as serial or parallel software.
FLOSIC18 has been optimized to run on NERSC.
Software Application
Supercomputers
Other
Documentation
CCS Contributor(s)
Software Contributions Supported by CCS award
The FLOSIC center is the sole developer of FLOSIC18. The CCS Award supports the creation of the FLOSIC code, based on the earlier NRLMOL electronic structure package. FLOSIC18 development has been driven solely by CCS Awards.
Summary
FLOSIC18 allows efficient and predictive modeling of materials without unphysical effects of electron self-interaction.