From: Maxim Belkin (mbelkin_at_ks.uiuc.edu)
Date: Fri Apr 01 2016 - 12:21:05 CDT
Aron is correct (except that it is cellbasisvector, not callbasisvector)
Also, use "pmePencils 1", rather than the trio pmeGridSizeX, pmeGridSizeY, pmeGridSizeZ
> On Apr 1, 2016, at 12:16, Aron Broom <broomsday_at_gmail.com> wrote:
>
> I believe the callBasisVector is based on the total length along that axis, so you still just want to calculate Zmax - Zmin, it doesn't matter if they are both negative.
>
> On Fri, Apr 1, 2016 at 1:14 PM, faride badalkhani <farideh.khamseh_at_gmail.com <mailto:farideh.khamseh_at_gmail.com>> wrote:
>
> dear all,
>
> I want to assign cellbasisvectors in the configuration file, but the maximum coordinate in z direction is -2.355. Therefore, How can I determine PMEGridSize z so that it
> can be factorized by 2, 3, or 5?
>
> Any help will be appreciated.
>
> Regards,
> Farideh
>
>
>
>
> --
> Aron Broom M.Sc
> PhD Student
> Department of Chemistry
> University of Waterloo
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