[QE-users] Pseudopotential to approximate a free electron?
Alex Kirkpatrick
canilivehere at hotmail.co.uk
Thu Aug 29 10:03:30 CEST 2024
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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