[CP2K-user] [CP2K:16585] specification in the NMR example

[Victor Volkov]

Dear Dr. Iannuzzi:
good morning.

I wish to ask you two questions concerning your introduction to NMR under 
cp2k
https://www.cp2k.org/_media/events:2015_cecam_tutorial:iannuzzi_spectroscopy_b.pdf

1) In your example, Iteration Tolerance for spin 1 converged in 698 
iterations
100 0.2560E-01
....
600 0.3288E-03


*Is it possible to instruct cp2k not to search for convergence better than 
0.1E-03?*


2) In your example, you define
&KIND N
LEBEDEV_GRID 100
RADIAL_GRID  200


*May the Grid numbers be different for other atoms?*
*If so, are there any rules to anticipate optimal numbers?*

I would be thankful if you comment.
Best regards,
Victor


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