Questions about nonlinearoptics module

[Kostas Fykouras]

Dear experts,

I have some questions regarding the nonlinearoptics module, specifically about the structure of the produced files at the end of the calculation.

My input file is :

use_momentum
number_val_bands_fine  12
number_cond_bands_fine  12
energy_resolution 0.04
polarization 1 1 1

and my WFN_fi has 480 kpoints.

What is the structure of the osc.dat file that is being produced? Below are the first 4 lines of the file:

       1  0.15105876E+01  0.21707438E-02  0.33009131E+00     212  0.20891272E-01
       2  0.15111077E+01  0.85825852E-03  0.70141816E-01     212  0.22637691E-01
       3  0.15136966E+01  0.24380176E-01  0.79383376E-02     208  0.44278544E-01
       4  0.15148185E+01  0.27710398E-02  0.44977430E+00     217  0.10429922E+00

Looking at the source code, it seems that the first column is the energy and the fourth is the total oscillator strength. What about the rest of the columns?

Additionally, what is the structure of the vmtxel_nl.dat?

In my case, the first line reads 

         480          24          24           1           1

which makes sense since I am considering 12 valence bands and 12 conduction bands.

What is the order that the vmtxel_nl.dat is written?

Does the code first iterate the bands or the kpoints when writing the file? So, are the first ten lines transition for a fixed kpoint and ten different bands or is it for a fixed set of bands and ten different kpoints?

Thanks in advance to anyone who takes time to read this post.

All the best,

Kostas