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 <[email protected]> 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>
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
