Obtaining electrostatic potential maps with CP2K

[Matt W]

Hi,

you want

https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE.html

that will give you the potential on a grid.

Matt

On Wednesday, September 20, 2017 at 4:56:33 AM UTC+8, Henrique Junior wrote:
>
> Drear colleagues I'm trying to obtain a electrostatic potential map at the 
> end of my calculation. I'm, indeed, getting a .cube file but I'm failing to 
> see something more than the electronic density.
> What is the best way to generate electrostatic potential maps from CP2K 
> results?
>
>  

> Thanks in advance.
>
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