Hi all,
I plot the pathway of my configuration in the manuscript. Two reviewers both raise questions about it. I am little confused on how to reply. I noticed there is a paper in the forum, e.g.,
http://www.nature.com/nchem/journal/v2/n3/pdf/nchem.546.pdf . I am going to read it.
But, is there any other suggestions?
The questions:
reviewer 1:
"In transmission pathway analysis, the transmission coefficient is split into local bond contributions." How is this done? Details should be provided in the manuscript. The authors should notice that although the matrices involved in NEGF approach are defined in the basis of atomic orbitals, one cannot "split" the matrices by taking separate parts corresponding to specific atomic orbitals and expect to recover the overall transmission coefficient. It is therefore very important to specify exactly what is meant by "In transmission pathway analysis, the transmission coefficient is split into local bond contributions."
reviewer 2:
Page *, the bottom line mentions contribution of local bonds to transmission. There are multiple approaches addressing this issue, but not all of them turn out valid. Authors may better describe their method specifically.
