unknown keyword NMR calculations
flosch... at gmail.com
Thu Dec 4 14:36:39 UTC 2014
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).
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