How to add the number of grid point in the *.cube file ?
jts2t... at gmail.com
jts2t... at gmail.com
Wed Nov 29 10:51:42 UTC 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!
>>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20171129/ae5ed35a/attachment.htm>
More information about the CP2K-user
mailing list