unknown keyword NMR calculations

[Florian Schiffmann]

Hi Tobias,

when was that workshop and what is the version of cp2k you are using? The 
problem is, that your input is not compatible with the current verion of 
cp2k. MAX_SCF is MAX_ITER and the other two keywords disappeared (or got 
merged with the normal scf, I don't quite know).

Flo
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