Author Topic: Electron localization function  (Read 2006 times)

0 Members and 1 Guest are viewing this topic.

Offline rose

  • Heavy QuantumATK user
  • ***
  • Posts: 47
  • Country: it
  • Reputation: 0
    • View Profile
Electron localization function
« on: January 18, 2014, 09:28 »
Hi everyone,
I try to use Electron localization function in ATK 11.8.2 but i got error even using the example of
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electronlocalizationfunction.html

I got following error:
elf = ElectronLocalizationFunction(molecule_configuration)
NameError: name 'ElectronLocalizationFunction' is not defined

how can i solve it?

thanks

Offline Nordland

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 812
  • Reputation: 18
    • View Profile
Re: Electron localization function
« Reply #1 on: January 18, 2014, 21:11 »
It is first implemented in much later version.