Author Topic: Help:why the transmission spectrum is negative value?  (Read 4685 times)

0 Members and 1 Guest are viewing this topic.

Offline qingfang

  • Heavy QuantumATK user
  • ***
  • Posts: 25
  • Reputation: 0
    • View Profile
Help:why the transmission spectrum is negative value?
« on: September 11, 2010, 12:47 »
Help:I finished the caculation of the transmission spectrum about the carbon nanotube,but the output file displays some negative values.I want to know why.
Generally the data of transmission spectrum is always positive value.
I will appreciate for your help!
« Last Edit: September 11, 2010, 13:01 by qingfang »

Offline Nordland

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 812
  • Reputation: 18
    • View Profile
Re: Help:why the transmission spectrum is negative value?
« Reply #1 on: September 11, 2010, 14:53 »
Is it negative like almost zero, but negative?

Offline qingfang

  • Heavy QuantumATK user
  • ***
  • Posts: 25
  • Reputation: 0
    • View Profile
Re: Help:why the transmission spectrum is negative value?
« Reply #2 on: September 12, 2010, 04:52 »
It will be obtained very big negative values from this picture T(E)-E.why?

Offline nori

  • QuantumATK Guru
  • ****
  • Posts: 122
  • Reputation: 12
    • View Profile
Re: Help:why the transmission spectrum is negative value?
« Reply #3 on: September 12, 2010, 08:38 »
It may be due to the issue of Krylov algorithm.
It is expected that using recursion algorithm alternatively will avoid this issue.

Offline Nordland

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 812
  • Reputation: 18
    • View Profile
Re: Help:why the transmission spectrum is negative value?
« Reply #4 on: September 14, 2010, 00:01 »
It would be a great help, if you could provide the script for setting up this calculation, so I can try to track it down.
If you do not want to share it on the forum, you can just send it directly to QuantumWise.