DOS to light absorption spectra

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
phtobias

DOS to light absorption spectra

#1 Post by phtobias » Fri Mar 17, 2006 1:30 pm

Can VASP simulate the (light) adsorption spectra for a given DOS?

Thanks.

yi-ren
Last edited by phtobias on Fri Mar 17, 2006 1:30 pm, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

DOS to light absorption spectra

#2 Post by admin » Mon Mar 20, 2006 1:36 pm

no, this is not included in standard vasp (there are no estimations
about differential cross sections and depth profiles)
Last edited by admin on Mon Mar 20, 2006 1:36 pm, edited 1 time in total.

phtobias

DOS to light absorption spectra

#3 Post by phtobias » Tue Mar 21, 2006 12:52 pm

Thanks for the reply.

Can a non-standard vasp do the work? Or does anyone have a code to share? Sharing the anauthorship in a paper is not a problem at all. I can write, or help to finish, the code if needed?

yi-ren
Last edited by phtobias on Tue Mar 21, 2006 12:52 pm, edited 1 time in total.

Post Reply