[DFTB-Plus-User] Fwd: PBC in excited states

[gonzalo diaz miron]

---------- Forwarded message ---------
De: gonzalo diaz miron <gonzalodm20 at gmail.com>
Date: mar, 10 ago 2021 a las 5:47
Subject: PBC in excited states
To: <dftb-plus-user at mailman.zfn.uni-bremen.de>


Dear users,

I have a little experience with dftb+, I calculated absorption spectra in
some aggregates and it worked very well. But now, I want to perform
optimizations and dynamics in excited states ( I need the forces in excited
states ). Is it possible to do that in an extended system with periodic
boundary conditions (PBC) ?.  I didn't find the answer in the literature, I
would appreciate any help.

Best.
Gonzalo
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