[CP2K-user] [CP2K:21115] SiO2 - surface optimization

BHARATHY R bharathy1882 at gmail.com
Thu Feb 6 13:54:56 UTC 2025


Hi everyone, I am new to CP2K and trying to optimize the SiO₂ surface, but 
I am encountering errors. Can anyone help me with working on solid surfaces 
in CP2K and optimizing the SiO₂ surface?. I am trying to optimize the SiO₂ 
surface using the 6-311++G(d,p) basis set and the B3LYP functional.

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