[CP2K-user] [CP2K:17011] different trial vectors TDDFPT
Matthias Kick
m.kick8819 at gmail.com
Fri May 20 14:14:16 UTC 2022
Dear *,
is it possible to specify different trial vectors for a TDDFPT calculation?
So, instead of starting from the lowest possible excitations one would
start from higher ones?
If I understand it correctly the intial trial vectors right now are
constructed from the lowest possible excitations of the Kohn-Sham states.
best,
Matthias
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/a099cc06-1b1a-4904-bc41-86ce3cc7911dn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220520/b5e2f884/attachment.htm>
More information about the CP2K-user
mailing list