Dear Lihong, The simplest way is to consult to the fast test in the Tests\transiesta directionary. You can get a fast way to the transiest inputfiles.
Cheer! 2010-09-15 Guangping Zhang 发件人: Shi Lihong <[email protected]> 发送时间: 2010-09-15 20:50 主 题: RE: [SIESTA-L] How to understand the transmission coefficient bigger than one. 收件人: "'[email protected]'" <[email protected]> Dear Guangping: I am a new user to the transiesta and I found you have successfully performed the transiesta. But now I have failed for several errors. I doubt the inputfile has something wrong and if you were Convenient, I would like to make your inputfile for a reference. If so, I will be very grateful for your kindness and I perform a different system from yours, that is Si nanowires. Thanks and Best regards! Lihong From: Guangping Zhang [mailto:[email protected]] Sent: Wednesday, September 15, 2010 4:06 PM To: [email protected] Subject: [SIESTA-L] How to understand the transmission coefficient bigger than one. Dear transiesta users: Now I have calculate a system,a molecule sandwiched between two semi-infinite Au(111) electrdes. First,I have only one surface layer which is consisted of only three Au atoms at every side(FIG1).And the transmission coefficient versus energy is plotted in Fig2.But I think there should be more surface layers,so I increase the surface layers to 2 and 3 respectively(FIG3).And the transmission coefficient versus energy is plotted in Fig4. At this time, transmission coefficient is largger than one at some energy. So who can explain to me how it can be. Thanks in advance! 2010-09-15 Guangping Zhang
