[CP2K-user] [CP2K:16716] CP2K xTB GEOOPT error

'Andres Adolfo Ortega Guerrero' via cp2k cp2k at googlegroups.com
Tue Mar 15 11:14:30 UTC 2022



Dear cp2k Group, 

I have been trying to run a xTB calculation in CP2K 9.1 (Piz Daint). 
However, I keep getting an error , I was wondering if you could help me on 
this. The simulation gets stopped before the geometry optimization starts

best ,

Andres

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