[CP2K-user] Reading in E-field

Rashid Rafeek V Valappil ras... at iiserb.ac.in
Fri Oct 30 05:18:10 UTC 2020


Dear all,

The following question regarding CP2K came up in the new mattermodeling
stackexchange <https://mattermodeling.stackexchange.com/>:

> I have figured out a way to input a custom electric field in a .cube
> format, but I am not sure I am doing it in the proper way. Currently my
> file contains information for the magnitude of the electric field at every
> point, but I would expect that instead of one file, three should be read in
> with each file corresponding to the electric field components. Can someone
> please help me figure out which is the proper implementation?
> I have attached my input file and a portion of the E-field cube file.

The question and the inputs are in this link:
https://mattermodeling.stackexchange.com/q/3660/85

I think the community here would know the answer to this question.

Thanks,
Rashid Rafeek.
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