[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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