Diagonal elements of velocity matrix

[daizhen...@gmail.com]

Hi,

I'm trying to obtain the full velocity matrix, including both diagonal and non-diagonal elements. I think for the non-diagonal terms (at least for the v-c transitions), the velocity matrix elements are stored in "s1" in the type velocity_t (found in vmtxel.f90), and I don't think it contains the diagonal terms and intraband terms according to its dimensions in bands (ncb*nvb rather than (ncb+nvb)^2). However, as I was reading the manual of "NonLinearOptics code overview", I found that it states "This is different from the file vmtxel created by absorption in that it contains valence-valence and conduction-conduction matrix elements. ". This seems to contradict the definition of the array s1. 

So, my question is, does vmtxel contain the valence-valence and conduction-conduction matrix elements or not? If not, is there any array in the code that contain the full velocity matrix? 

Thanks a lot!

[Magdalena Laurien]

Hi,

did you find an answer to this question? I am also looking to obtain the full velocity matrix including valence-valence and conduction-conduction band transitions. 

Thanks a lot,

Magdalena