Optical data extraction related query
Posted: Fri Jun 02, 2023 7:07 pm
Dear Experts,
I performed the optical calculations with the inclusion of SOC for one 2d system. I used the script "extract_optics.sh" for extracting the data. In the extracted imaginary part, I am getting, from 1 to 1000, a range of energies and corresponding data. Again 1001 to 2000 a range of energies which are exactly the same as 1 to 1000 and a set of data (which is different from the previous one). I am not getting why two times I am getting the data (same energy values); how can I improve this.
Please suggest. The main idea is to perform GW and BSE calculation further.
https://drive.google.com/drive/folders/ ... sp=sharing
I performed the optical calculations with the inclusion of SOC for one 2d system. I used the script "extract_optics.sh" for extracting the data. In the extracted imaginary part, I am getting, from 1 to 1000, a range of energies and corresponding data. Again 1001 to 2000 a range of energies which are exactly the same as 1 to 1000 and a set of data (which is different from the previous one). I am not getting why two times I am getting the data (same energy values); how can I improve this.
Please suggest. The main idea is to perform GW and BSE calculation further.
https://drive.google.com/drive/folders/ ... sp=sharing