[Wien] Bi2Se3 atomic positions in wien2k structure file.

Naseem Hassan raheskoon at gmail.com
Thu Feb 6 15:35:59 CET 2014


Dear Users,

This is strange but what else I can do except reporting it. I am unable to
download the attachment from the fallowing email which is in the archive
(probably never attached).

http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08497.html

Kindly suggest me how can I make Bi2Se3 structure file ? The space group is

space group R3m (166)and structure is hexagonal.
*But I do not know how many atoms should *


*I generate for structure file and what are the positions for respective *


*atoms ? I would appreciate if some one help how to find position*



*from the official link below, in this way I will learn alot.
http://cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=166&grha=hexagonal
<http://cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=166&grha=hexagonal>
*

Best wishes

Naseem (A beginner in wien2k code)
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