« previous next »
Pages: [1]   Go Down

Author Topic: Obtaining the radial parts of DFT-orbitals  (Read 2358 times)

0 Members and 1 Guest are viewing this topic.

Offline ziand

  • Heavy QuantumATK user
  • ***
  • Posts: 78
  • Country: de
  • Reputation: 5
    • View Profile
Obtaining the radial parts of DFT-orbitals
« 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.
Logged

Online Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5427
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: Obtaining the radial parts of DFT-orbitals
« Reply #1 on: August 18, 2011, 19:49 »
Do you mean the basis set viewer in the Analyzer?
Logged

Offline ziand

  • Heavy QuantumATK user
  • ***
  • Posts: 78
  • Country: de
  • Reputation: 5
    • View Profile
Re: Obtaining the radial parts of DFT-orbitals
« Reply #2 on: August 18, 2011, 20:00 »
Yes this is exactly what I mean. Sorry for the sloppy writing.
Logged
Pages: [1]   Go Up
« previous next »