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Re: [abinit-forum] about cut3d


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  • From: Myrta Grüning <Myrta.Gruning@uclouvain.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] about cut3d
  • Date: Tue, 23 Dec 2008 17:48:06 +0100 (CET)
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Hallo Anurag,

I do not know the difference, but I am always using option 11 and it works
fine.
Anyway it does not take much to generate those files and the original
files are not destroyed afterwards, so you may even try both options and
empirically determine which one works for you.

Cheers,
m

On Tue, December 23, 2008 5:33 pm, Anurag Chaudhry wrote:
> Hello Everyone,
>
> I have a question about Cut3d. Among the options it gives to save the
> data as in
>
> 0 => exit to k-point / band / spin-pol loop
> 1 => 3D formatted real and imaginary data
> (output the bare 3D data - two column,R,I)
> 2 => 3D formatted real data
> (output the bare 3D data - one column)
> 3 => 3D formatted imaginary data
> (output the bare 3D data - one column)
> 4 => 3D indexed real and imaginary data
> (3D data, preceeded by 3D index)
> 5 => 3D indexed real data
> (bare 3D data, preceeded by 3D index)
> 6 => 3D indexed imaginary data
> (bare 3D data, preceeded by 3D index)
> 7 => 3D Data Explorer formatted data
> (Real file and Imaginary file)
> 8 => 3D Data Explorer formatted data
> (Only the Real file)
> 9 => 3D Data Explorer formatted data
> (Only the Imaginary file)
> 10 => 3D Data Explorer formatted data and position files
> 11 => XCrysden formatted data and position files
> 12 => NetCDF data and position file
> 13 => XCrysden/VENUS wavefunction real data
>
> which option is appropriate to view the output in Xcrysden -- option 11 or
> 13 ?? what is the difference between the two ?
>
> thanks and regards,
> Anurag
>
>
>


****************************************************
Dr. Myrta Gruning
Université Catholique de Louvain
SE/FSA/MAPR/PCPM
Pl. Croix du Sud 1
1348 - Louvain-la-Neuve (Belgium)

tel : +32 (0)10/47 3568
fax : +32 (0)10/47 3452
email: myrta.gruning@uclouvain.be
url : http://www.myrta.eu




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