[ase-users] How to set zero energy at Initial configuration

[Ask Hjorth Larsen]

Dear Abid,

Am Di., 18. Sep. 2018 um 20:00 Uhr schrieb Abid Channa via ase-users
<ase-users at listserv.fysik.dtu.dk>:
>
> Hi ASE users,
>
> I am working on NEB calculations, for that usually we set two configurations initial and final, before starting NEB calculations, "how to set zero energy at initial position or in other words "How to set energy of system (at initial configuration) equal to the binding energy of an adatom".
>

Not sure I understand.  You cannot 'set' the energy or other outputs.
Consider subtracting it manually when generating the plot.

Best regards
Ask

> Best,
>
> _________________________________
>                    ABID ALI
>
>
> University of Iceland.
>
>
>
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