[CP2K:6683] Re: grid spacing for cube files

S Ling lingsa... at gmail.com
Mon Jun 22 14:30:19 UTC 2015

Thanks. I was thinking it would be much more convenient if I can choose the
grid spacing directly. Currently, I still need to try different
combinations of the parameters which you mentioned in order to get a grid
spacing which I want. I was doing some post-processing jobs on the cube
files, and if the grid spacing is too big, then the code doesn't work very
well, and if the grid spacing is too small, then the cube file becomes too
large to analyse.


On 22 June 2015 at 15:22, Samuel Andermatt <samuel.a... at student.ethz.ch
> wrote:

> I am not aware of something like that. Also it would require an
> interpolation of the grid values for the points that would not lie on the
> actual grid. What prevents you from choosing a combination of cutoff,
> stride and system size to get the desired number of grid points?
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