How compute LUMO and HOMO of thine films and nanoparticles by COMSOL?

10 October 2018 1 5K Report

I want to compute LUMO and HOMO of TiO2 and Au, CdS, graphene nano particles. Is this feature in Comcast?

And what other software can I use to do this?

COMSOL can not help you to get HOMO, LUMO of any material. You need certain software which work using density functional theory. Here are the list of some software: SIESTA, VASP, Quantum expresso, CP2K....

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