[xcrysden] about 2D data

[lan haiping]

Hi, Tone,
I have another question about 3D FFT data and 3D data of XSF file.
I have checked the transformation routine for
3D FFT data to XSF file in QE package. In that  routine,   final XSF grids
dimension seems not  the same as 3D FFT data.
In fact, most situations i found the XSF grids
dimensions are (nx+1)x(ny+1)x(nz+1) where nx,ny,nz are 3D fft data's
dimension.

I wonder about this scheme, would you please give me some hints ?
Regards

On Thu, Feb 26, 2009 at 12:19 AM, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Wed, 2009-02-25 at 17:05 +0100, Giovanni Cantele wrote:
> > > On Wed, 2009-02-25 at 06:07 +0800, lan haiping wrote:
> > >
> > >> Dear All,
> > >>
> > >>   I am wondering about 2d data displaying in xcryden.
> > >> I want to examine a 3D field contour along Z direction comparing with
> > >> a 2D quantity integrated along Z direction.   Then, can i display this
> > >> 2D
> > >> data with Xcrysden ? and how ?
> > >>
> >
> > As you may read here
> > http://www.xcrysden.org/doc/XSF.html#__toc__11
> > both 3D and 2D scalar fields can be visualised using XCrysDen. In
> > addition, 2D cuts of 3D scalar fields may be obtained.
> >
> > I guess that for displaying both 2D and 3D, you must generate the two
> > XSF files and then properly append let's say the 2D scalar field (from
> > BEGIN_BLOCK_DATAGRID_2D to END_BLOCK_DATAGRID_2D ) at the end the other
> > file.
>
> This is true, but it is also true that then you cannot display both of
> them simultaneously, unfortunately. Xcrysden only allows for the display
> of a single field at the time (i.e. the one selected in the "Datagrid"
> popup window).
>
> Regards, Tone
>
> --
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
>
> Please, if possible, avoid sending me Word or PowerPoint attachments.
> See:  http://www.gnu.org/philosophy/no-word-attachments.html
>
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-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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