QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: qingfang on September 11, 2010, 12:47

Title: Help:why the transmission spectrum is negative value？
Post by: qingfang 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!

Title: Re: Help:why the transmission spectrum is negative value？
Post by: Nordland on September 11, 2010, 14:53

Is it negative like almost zero, but negative?

Title: Re: Help:why the transmission spectrum is negative value？
Post by: qingfang on September 12, 2010, 04:52

It will be obtained very big negative values from this picture T(E)-E.why?

Title: Re: Help:why the transmission spectrum is negative value？
Post by: nori 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.

Title: Re: Help:why the transmission spectrum is negative value？
Post by: Nordland 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.