[CP2K-user] [CP2K:17013] testing NTO format

[Victor Volkov]

Good day, dear members.

I was testing  NTO presentations for pyrasine
(a natural product specific to bacterial biochemistry 
[Nature 193, 776, 1962], 
reported to play role in insect communication 
[Scientific Reports 8, Article number: 2595, 2018].)

and found some difficulties about expression for a particle state:
please, see the attached graphic summary.

Is it possible that 
I do not configure &TDDFPT correctly?

I attach both, input and output files.
Thank you.

Best Wishes,
Victor

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