[CP2K:5706] Possible bug in DFT-D3

Florian Schiffmann flosch... at gmail.com
Mon Oct 6 21:16:06 UTC 2014


Sorry I missed the point that you really this was the dispersion energy 
only where you observed the energy difference. In that case my previous 
statement was wrong. This looks indeed like a bug in the dispersion 
routines. I am currently a bit busy but if nobody else has a good idea, I 
will look into the routines as soon as I have some spare time.

Flo
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