FLOSIC/PublicRelease_2020

FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital implementation of Perdew-Zunger SIC scheme is used in the software.

语言：Fortran · GitHub 星标：17 · Fork：13

话题：density-functional-theory · quantum-chemistry · self-interaction-correction

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