[CP2K-user] [CP2K:20460] Re: Applying electric field
Arup Sarkar
arupsarkar1398 at gmail.com
Thu Jul 18 11:52:52 UTC 2024
Hello everyone,
The above discussion regarding the application of the static electric field
in geometry optimization, is really useful. I am also trying running
similar calculation. I was wondering is there any way to find out in the
output file? Like what amount of electric field it is applying during SCF
or optimization?
Best regards,
Arup Sarkar
Postdoctoral Researcher
Max Planck Institute for Polymer Research
On Saturday, July 4, 2020 at 4:47:48 AM UTC+2 Nam Tran wrote:
> Dear Teo and aarondesk,
>
> Please help correct my understanding. If you defined a linear external
> potential like aarondesk's, it means you applied an external constant force
> on selected atoms ? (because F = -dV/dz is a constant)
>
> Thanks
>
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