<p>Dear CP2K community,</p>
<p>I am planning to perform QM molecular dynamics simulations in CP2K for a system with a total charge of +3, using periodic boundary conditions. I understand that charged systems under PBC can lead to issues due to long-range electrostatics.</p>
<p>I've read that CP2K handles this by introducing a uniform neutralizing background charge. Does CP2K apply this correction automatically, or do I need to explicitly include a specific command in the input file to enable it?</p>
<p>Any clarification would be greatly appreciated.</p>
<p>Best regards,</p><p>Hasan</p>

<p></p>

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