[QE-users] Pseudopotential to approximate a free electron?

[Lorenzo Paulatto]

You could, probably, but why not just use tot_charge=-1

Kind regards 


On August 29, 2024 10:03:30 AM GMT+02:00, Alex Kirkpatrick <canilivehere at hotmail.co.uk> wrote:
>Dear all,
>
>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?
>The end goal being to model its interaction with material surfaces in vacuum.
>
>Best wishes,
>Alex
>
>
>Sent from Outlook<http://aka.ms/weboutlook>
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