[CP2K-user] [CP2K:19363] Warning in NMR Chemical Shift Calculation

'Beatriz Bueno Mouriño' via cp2k cp2k at googlegroups.com
Fri Oct 13 21:29:30 UTC 2023


Hello,

While running an NMR calculation on a periodic structure with CP2K 9.1 
(input file attached) I ran into the following warning:

 *** WARNING in dbcsr_operations.F:268 :: You should not add existing ***
 *** blocks according to old API.                                     ***

I believe it might be something similar to what was reported here: 
https://groups.google.com/g/cp2k/c/nxZjObp_RtQ/m/n9kQol3EIQAJ.

Any thoughts on what could be originating this, or if it is something I 
should be concerned about?

Thank you for your help.

Best regards,
Beatriz

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