[Wien] Symmetry pts in Brillouin zone

J. K. Balamurugan albertbalagan at gmail.com
Wed Sep 14 18:54:29 CEST 2011


Dear Wien2k developers and users,

I need to know one small information: on what basis the sequences of high
symmetry points of the Brillouin zones are chosen? I know that XCrysDen
would help to choose any sequence we like; but, there often times in our
system XCrysDen does not run! In such situations we use the  Brillouinzones
from Bilbao Cryst
Server<http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-table?from=kv>
option.
This one automatically sets the sequence. I like to have more understanding
about how this is done. Please let me know any refence papers or we pages
which could give me more inputs to understand this.

Literature have many different schemes, but I do not know what is used in
Wien2k 11.1

Thanks.

-- 
*K. Balamurugan
Pittsburgh, USA.
+1 412 961 5055*
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