« previous next »
Pages: [1]   Go Down

Author Topic: External potential  (Read 1908 times)

0 Members and 1 Guest are viewing this topic.

Offline Kengo

  • New QuantumATK user
  • *
  • Posts: 4
  • Country: jp
  • Reputation: 0
    • View Profile
External potential
« on: December 15, 2016, 08:42 »
Hello,

I have a question for external potential module.
I calculated external potential(Vext) of  carbon nanotubes like attached picture
by DET code(GGA). However,  the value of Vext is 0eV at all area.
Please tell me why potential value from carbon atoms became 0eV?

Thanks in advance
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: External potential
« Reply #1 on: December 15, 2016, 10:37 »
Could you enclose the ATK python script and log file for your calculation?
Logged

Offline Kengo

  • New QuantumATK user
  • *
  • Posts: 4
  • Country: jp
  • Reputation: 0
    • View Profile
Re: External potential
« Reply #2 on: December 15, 2016, 10:45 »

Thank you for your quick reply.
I attached calculation file.
please confirm it.
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: External potential
« Reply #3 on: December 15, 2016, 12:59 »
Please have a look at Notes about the external potential in ATK in the manual at http://docs.quantumwise.com/manuals/Types/ExternalPotential/ExternalPotential.html. Why would you expect any non-zero external potential for your bulk system? It has no electrodes and no gates.   
Logged
Pages: [1]   Go Up
« previous next »