QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Help:why the transmission spectrum is negative value?
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Help:why the transmission spectrum is negative value? (Read 4682 times)
0 Members and 1 Guest are viewing this topic.
qingfang
Heavy QuantumATK user
Posts: 25
Reputation: 0
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
»
Logged
Nordland
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 812
Reputation: 18
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?
Logged
qingfang
Heavy QuantumATK user
Posts: 25
Reputation: 0
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?
Logged
nori
QuantumATK Guru
Posts: 122
Reputation: 12
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.
Logged
Nordland
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 812
Reputation: 18
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.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Help:why the transmission spectrum is negative value?