[DFTB-Plus-User] Aluminium in Waveplot

[Mario Wolter]

Dear DFTB+ users,

I am trying to plot the orbitals of an aluminium containing organic material.
I did the calculations with the mio parameters and some appropriate ones for the aluminium.

Now I need to plot the orbitals of this complex, but this does not seem to work very well without parameters for the aluminium,
altough I dont really need the orbitals of the aluminium as they are indifferent for my application.

So are there some parameters for aluminium in waveplot available?
Or is there a way to disregard the aluminium in waveplot?

Best regards

-- 
Karlsruhe Institute of Technology (KIT)
Theoretical Chemical Biology

Mario Wolter
PhD-Student

Kaiserstr. 12
Geb. 30.44
76131 Karlsruhe, Germany

Phone: +49 721 608-45704
Web:http://www.ipc.uni-karlsruhe.de/tcb

KIT – University of the State of Baden-Wuerttemberg and
National Laboratory of the Helmholtz Association