unknown keyword NMR calculations

[Tobias Kraemer]

Dear Florian,


I went to a workshop earlier this year, however the files are from some 
workshop in the past I assume (checking the outputs, it appears these
were run with CP2K 2.0.0). We are running CP2K 2.6 and CP2K 2.5.1 here in 
our group. Thanks for the hint, it does makes sense that some 
of these keyword have changed in the meantime. I have amended my input file 
accordingly and will see how this goes. 

Thanks 

Tobi


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