[CP2K:9933] Problematic DFTB geometry optimization

[Maxime Van den Bossche]

Dear Juerg,

Thanks a lot for your input -- I will indeed make a closer
comparison between CP2K and DFTB+ (at least now I 
know that it is a type of calculation that should in principle
work with the CP2K DFTB module). In the mean time, 
I can add that the same problem exists when using the 
SKF files from the 'matsci' set from dftb.org. 

/Maxime
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180201/ce4be15f/attachment.htm>