[CP2K-user] [CP2K:17014] different trial vectors TDDFPT

[Anna Hehn]

Dear Matthias,

so far this is not possible.

Best,

Anna


Am Fr., 20. Mai 2022 um 16:14 Uhr schrieb Matthias Kick <
m.kick8819 at gmail.com>:

> 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
>
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