[DFTB-Plus-User] calculation of the onsite energy and the hopping parameter in a molecule

n.salami at srbiau.ac.ir n.salami at srbiau.ac.ir
Sun Apr 27 18:33:30 CEST 2014


Dear,

Thanks, I understand how I calculate them.
Best,
Nadia


More information about the DFTB-Plus-User mailing list