[xcrysden] coordinates of asymmetric unit
mpayami at aeoi.org.ir
Wed Nov 24 10:11:19 CET 2010
Thank you very much for your reply.
I just had not read the content of the xsf file generated by XC, and
Sebastijan suggested it.
> What do you mead precisely?
> The "translational asymmetric unit" terms refers to the atoms within the
> unit-cell, provided you display only a single unit-cell. So whatever
> file you loaded the coordinates are stored therein.
> However if you multiply the cells, and you would like the coordinates of
> the displayed structure in "translational asymmetric unit" mode, which
> can be used to construct the supercell, then follow the info that
> Sebastijan provided a few days ago.
> 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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