[CP2K-user] Absorption spectra for bulk metals
NGastaPooh
roma... at gmail.com
Wed Mar 13 21:20:31 UTC 2019
Dear CP2K users,
I'm looking for a way to plot absorption spectra for bulk Na and K, so I
can reproduce ARPES experimental data. I know that with some assumptions
one can get band structures from ARPES data and directly compare them with
calculated bands using DFT framework. However, I want to get initial
intensity vs binding (initial state) energy spectrum. Is it possible to do
so with CP2K?
I would greatly appreciate any feedback.
Thanks,
Pooh
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