<p>Hello CP2K Community,</p><p>I’m running a calculation in CP2K (input and coordinates attached) and encountering unusual SCF behavior. The SCF wavefunction optimization seems to oscillate rather than converge steadily</p><p>I’ve attached the full input file (<span>cr202.inp</span>), the log, and the coordinates (<span>cr202.xyz</span>) for reference. Any advice on improving SCF convergence would be greatly appreciated.</p>
<p>Thank you,<br />Hamid </p>

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