[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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