How to set up OPBE in cp2k

Conrad cjohns... at qub.ac.uk
Tue Jul 26 08:21:46 UTC 2016


Based on what you've described, your suggested input does look reasonable. 
One of the authors from your ref 5 (Marcella Iannuzzi) is active on this 
forum and can hopefully confirm your approach.

Best wishes,
Conrad
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