Author Topic: Parabola vs flat trend? (for total energy VS distance)  (Read 2764 times)

0 Members and 1 Guest are viewing this topic.

Offline perfetti

  • QuantumATK Guru
  • ****
  • Posts: 103
  • Country: us
  • Reputation: 2
    • View Profile
Dear Everyone,
       I modified the central part of a device, and am trying to get the equilibrium distance between the electrode and the central part.
       I change the value of the distance, and get the corresponding total energy. However, I got a curve with a flat trend, instead of a parabola one.
       I feel a little bit strange, cause for the original device, I got a parabola curve. Is there possible that the total energy vs distance should become flat?  Or is that because I modified the central part, then something got changed? I cannot explain this in theory.
       The calculated curves are attatched. Thanks everyone for your advice.
      

Offline kstokbro

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 392
  • Reputation: 13
    • View Profile
    • QuantumWise
Re: Parabola vs flat trend? (for total energy VS distance)
« Reply #1 on: April 3, 2012, 23:22 »
I do not understand exactly what you are doing. Which distance are you changing?
Can you attach the script you use, this might help.

Offline perfetti

  • QuantumATK Guru
  • ****
  • Posts: 103
  • Country: us
  • Reputation: 2
    • View Profile
Re: Parabola vs flat trend? (for total energy VS distance)
« Reply #2 on: April 4, 2012, 00:29 »
I am changing the gap between the electrode and the central region.
They are not zero as you view it.
I am plotting the total energy of the whole system vs this gap.

I do not understand exactly what you are doing. Which distance are you changing?
Can you attach the script you use, this might help.

Offline Nordland

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 812
  • Reputation: 18
    • View Profile
Re: Parabola vs flat trend? (for total energy VS distance)
« Reply #3 on: April 4, 2012, 09:02 »
Which version of ATK are you using?

I guess it is one of the older, and you systems converged to zero charge every time.

Offline howard77

  • New QuantumATK user
  • *
  • Posts: 1
  • Country: at
  • Reputation: 0
    • View Profile
Re: Parabola vs flat trend? (for total energy VS distance)
« Reply #4 on: April 4, 2012, 09:23 »
THIS IS AN AMAZING FORUM.. I have never seen people helping oyt each other so well in other sites so well and so patience. it feels like i m in some kind of class room.. Thanks a tonn.. keep the good work goin on..
i also got great knowledge after reading this post.