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optical transitions in vasprun.xml

Posted: Thu Mar 01, 2018 2:59 pm
by dahvyd.wing
Hi All,

I'm trying to produce an optical spectrum which has Gaussian broadening (using TDHF) by using the optical transitions reported in vasprun.xml. What factor is being used to normalize the data reported in opticaltransition ( the second column) in order to obtain the Lorentzian broadened data found in the dielectricfunction of vasprun.xml?

Thanks,
Dahvyd

Re: optical transitions in vasprun.xml

Posted: Wed Sep 11, 2024 3:41 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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VASP