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Hi,

I have computed the following spectra, but I'm wondering, specifically for the peak around 1000 nm, how it's possible to have such a large oscillator strength when the absorption coefficient (as given by the imaginary dielectric function) is small as shown. I have some ideas in my mind but am really not sure (does the oscillator strength include IR transitions while the imaginary dielectric function only includes electronic transitions?) - any help or thoughts on this would be really appreciated; also attached are the relevant job files

thanks!

Dear awang95,

Please provide relevant output files (such as the OUTCAR) in accordance with the forum posting guidelines here: https://www.vasp.at/forum/viewtopic.php?t=17928. It would also be beneficial if you could provide a simple script that you use to plot the quantities in your plot from the relevant output files; thank you!

Sudarshan

sorry about that - here are the missing files that are also relevant