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<body dir="ltr"><div dir="auto">You could, probably, but why not just use tot_charge=-1<br><br>Kind regards <br></div><br><br><div class="gmail_quote"><div dir="auto">On August 29, 2024 10:03:30 AM GMT+02:00, Alex Kirkpatrick <canilivehere@hotmail.co.uk> wrote:</div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
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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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