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Dear CP2K Users,</div>
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I'm trying to run a geometry optimization for CoF2 (110) slabs, but the energy does not seem to decrease. Instead, it fluctuates a lot and sometimes increases significantly. I already used BFGS as the optimizer, and the eps_scf was set to 10^(-7). I'm wondering
if anyone knows how to deal with such a problem. My input file, the generated xyz file, and the output file are attached below.</div>
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Thanks in advance!</div>
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Best regards,</div>
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Xiao</div>
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