[Smeagol-discuss] How to avoid the noise in the Transmission?

[Wang Qinjing]

Dear all:

I've sent this email before, unfortunately it is hold because the the attched file is over the limit of 40 KB. I resend the email now:


Dear SMEAGOL users:

I am calculating the transmission of a lead-molecular-lead system by SMEAGOL and get the relation of the transmission coefficient and the energy from the output file *.TRC. The picture of TRC versus energy is also sent as attachment.

My problem is, are the two peaks at about -0.12 Ry and -0.15 Ry, as pointed out by two red arrows, the noise in the transmission? It seems there are not any physical meanings. Are they really noise? If they are noise, how can I avoid them?

Thank you all in advance

Wang Qinjing

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王秦镜 复旦大学物理系研究生
Wang Qinjing, Postgraduated students
Physics Department, Fudan University
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