Author Topic: plot wave function  (Read 6231 times)

0 Members and 1 Guest are viewing this topic.

Offline jerry

  • Heavy QuantumATK user
  • ***
  • Posts: 85
  • Reputation: 0
    • View Profile
plot wave function
« on: March 30, 2011, 04:16 »
Hello:
       I am wandering whether i can plot wavefunctions of a particular eigenstate or plot electron density over a particualr energy range.
       
       Thanks a lot!

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: plot wave function
« Reply #1 on: March 31, 2011, 07:55 »
By calling BlochState(), the wavefunction of a specific state can be printed out. please refer to here: 
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.blochstate.html

Offline jerry

  • Heavy QuantumATK user
  • ***
  • Posts: 85
  • Reputation: 0
    • View Profile
Re: plot wave function
« Reply #2 on: April 1, 2011, 08:55 »
Thanks for your help!
I also want to know how to plot a wavefunction in a two or three terminal device at a certain electrode voltage. Thanks a lot!

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: plot wave function
« Reply #3 on: April 1, 2011, 09:24 »
By calling Eigenstate(), the eigenstate can be printed out, please see here:
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.eigenstate.html

Offline jerry

  • Heavy QuantumATK user
  • ***
  • Posts: 85
  • Reputation: 0
    • View Profile
Re: plot wave function
« Reply #4 on: April 2, 2011, 15:17 »
Thanks a lot!
          when it comes to a three terminal system with gate electrodes, only periodic boundary condition can be chosen in a and b direction to calculate eigenstates. Can ATK offer the option with other boundary conditions?