[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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