What does the "sdos" column in the dos.plrn file mean?

General
1

Hi everyone,

When I was using the EPW program to calculate self-trapped polarons, I noticed that there is a column labeled sdos in the dos.plrn file. Could anyone explain what this parameter represents?

I did a simple analysis of it and found that the shape of this curve appears to be the same as that of B². I am not sure how this column can more fully describe the physical properties of the polaron.

If anyone knows the physical meaning of this parameter, or has a relevant link or literature reference, I would greatly appreciate it if you could share it. Thank you very much!

2

I replied via email, and re-post here:

This additional column was added by me, and you are right that it’s the density of B^2. The short answer is: this column is related to the optical properties of self-trapped polarons.

A long answer takes pages to explain, and we wrote a paper for it, which is under review and will be out soon. Please stay tuned.

3

Wow! That’s really exciting!

Congratulations, and I look forward to the publication of your paper!