How to add the number of grid point in the *.cube file ?
mattwa... at gmail.com
Tue Nov 28 10:14:33 UTC 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.
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
> 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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