GTH_BASIS_SETS CANNOT BE OPENED

Conrad cjohns... at qub.ac.uk
Mon Jul 18 12:11:43 UTC 2016


Just to add to Huan's excellent reply,

I believe that from CP2K 3.0 onwards, the code looks automatically in the 
cp2k/data/ directory for the data files it needs. This would suggest that 
Dj MG has an older version of the code or maybe the data directory has been 
put in a non standard location.

Adding the full paths will always work.

Best wishes,
Conrad
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