[CP2K-user] [CP2K:19857] Bond break off after optimization

Quadri Olakunle Adewuyi oq.adewuyi at gmail.com
Wed Jan 31 06:28:18 UTC 2024


Dear All, 

 I am a new user of CP2K,  I ran geo-optimization for a structure. I 
discover some of the structure bonds are missing/break. I have try 
different basis set but same result.  Kindly support. 

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