How to add the number of grid point in the *.cube file ?

Matt W mattwa... at gmail.com
Tue Nov 28 11:14:33 CET 2017


You can't specify number of grid points, unfortunately. The only reliable 
method will be to use the same box / cutoff for both simulations.

Matt

On Tuesday, November 28, 2017 at 9:38:11 AM UTC+1, jts2... at gmail.com wrote:
>
> Hello, everyone.
>
> I want to know how to add the number of grid points in the cube file. I 
> search for it in the exercise using different keywords, but it did not work.
> I read the cube files of two simulations, one for KCl and the other for 
> ethene. But the grid points along each direction in the two simulations 
> differs.
> Is it distributed automatically in CP2K?  If so, according what ?
> If not, how does one specify the  number of grid points in each directions?
>
> Thanks for any advice!
>
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