[DFTB-Plus-User] DOS and zero energy
s.nenon at ism.u-bordeaux1.fr
Tue Jul 5 17:47:40 CEST 2011
Dear DFTB users,
I did comparisons between DOS for slab with and without adsorbates. I know that in some other codes, there is a need to shift DOS obtained in order to obtain the same zero energy between different calculations.
Is it the same with DFTB+? How is defined the zero energy, and how to find the eventual shift value?
Thanks a lot
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