Hello,

I was hoping somebody could help.

I am currently attempting to do transport calculations on a molecule that contains Tungsten, due to the size of the system I wanted to attempt DFTB/ Slater-Koster to gain some computational speed. However there doesn't seem to be any SlaterKosterTables for Tungsten. Does anyone have any suggestions on how I can use this method on Tungsten containing system?

Is there anyway to fit parameters from previous DFT Geometry Optimisation calculations on the Molecule?

Thanks in Advance