[CP2K-user] Custom electric field file format?

[Matt W]

Hi Anne,

no, I think the EFIELD keyword you mention was designed to apply a laser 
pulse to the system. You can specify a time varying field, but at any given 
moment it is constant in space.

You might be able to get what you want from the 
https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EXTERNAL_POTENTIAL.html keyword 
where you can specify a cube file.

Matt

On Friday, April 3, 2020 at 9:13:00 PM UTC+1, Anne B wrote:
>
> Hello,
>
> I am interested in applying a custom electric field from a file input, as 
> mentioned in the manual: 
> https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD/CUSTOM_ENV.html
>
> However, after looking though this page in the manual and doing a search 
> for a how-to, I could not find what exact kind of file format is needed. 
> Would it be the same cube format that is output by this command: 
> https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/EFIELD_CUBE.html 
> ?
>
> Thanks,
> Anne
>
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