A Quick Guide To Running DFTB (With Available Parameters) In GAMESS-US

This post comes out of my great appreciation for just how well Yoshio Nishimoto’s DFTB (density functional-based tight binding method) implementation in GAMESS-US runs, both as an additional functionality in an already considerable program and in comparison to a few other programs I’ve worked with to do the same. Also, the use of unmodified Slater-Koster … Continue reading A Quick Guide To Running DFTB (With Available Parameters) In GAMESS-US