[CP2K-user] Bad condition number error

Brian Day 22b... at gmail.com
Mon Feb 4 20:56:23 UTC 2019

To anybody who might run into this issue in the future:

The problem was mixing BLYP/BLYP Basis sets with D3 for PBE. Obviously, one 
needs to be consistent in the choice of functional. That said, even 
identical code did not always break at the same time/place, so the error 
was not consistently reproducible, making this particularly frustrating. 
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