The ABINIT Users Mailing List ( CLOSED )

["Luis DIAZ" <ledssiul@gmail.com>]

Hello Anurag,

If I am correct, you have to use option 11 if you want to use XCrySDen
and option 13 in case you prefer "VENUS".

If you have a look in the code, in both options there is no
differences in the header, that because VENUS is able to read XCrySDen
formats.

Cheers,

Luis


On Tue, Dec 23, 2008 at 10:48 AM, Myrta Grüning
<Myrta.Gruning@uclouvain.be> wrote:
> 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
>
>

================================
Luis Diaz
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