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Thanks for the reply Lorenzo.</div>
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I'm very new to all this but my thought was that, to have some control over the distance between the 'electron' and the surface, I would need to include it as a discrete entity. I would then be able to vary the distance and see how things change. Is this the
wrong way to go about it?</div>
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Kind regards</div>
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Alex</div>
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<div id="divRplyFwdMsg" dir="ltr"><span style="font-family: Calibri, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto@cnrs.fr><br>
<b>Sent:</b> 29 August 2024 10:15<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] Pseudopotential to approximate a free electron?</span>
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<div style="direction: ltr;">You could, probably, but why not just use tot_charge=-1<br>
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Kind regards</div>
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<div style="direction: ltr;">On August 29, 2024 10:03:30 AM GMT+02:00, Alex Kirkpatrick <canilivehere@hotmail.co.uk> wrote:</div>
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Dear all,</div>
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Is it possible to create a pseudopotential file, or modify an existing one like hydrogen, to approximate placing a free electron in the simulation cell? </div>
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The end goal being to model its interaction with material surfaces in vacuum.</div>
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Best wishes,</div>
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Alex</div>
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