QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ziand on August 18, 2011, 17:11

Title: Obtaining the radial parts of DFT-orbitals
Post by: ziand on August 18, 2011, 17:11

VNL-Viewer allows to inspect the radial parts of the DFT-orbitals.
Is there a hack to obtain those from within atkpython to plot them in some different way?
Thanks.

Title: Re: Obtaining the radial parts of DFT-orbitals
Post by: Anders Blom on August 18, 2011, 19:49

Do you mean the basis set viewer in the Analyzer?

Title: Re: Obtaining the radial parts of DFT-orbitals
Post by: ziand on August 18, 2011, 20:00

Yes this is exactly what I mean. Sorry for the sloppy writing.