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

jts2t... at gmail.com jts2t... at gmail.com
Wed Nov 29 11:51:42 CET 2017


Thanks, Matt

在 2017年11月28日星期二 UTC+8下午6:14:33,Matt W写道:
>
> 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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