Optical data extraction related query

Question on input files/tags, interpreting output, etc.

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alok_shukla1
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Optical data extraction related query

#1 Post by alok_shukla1 » 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

martin.schlipf
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Re: Optical data extraction related query

#2 Post by martin.schlipf » Mon Jun 05, 2023 7:08 am

Does this forum post clarify what the script extract_optics.sh does for you? If you look in the OUTCAR file, you will also get two sets of the dielectric function, a density-density and a current-current one.

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