[Wien] silicon structure
Jedo
jedokim at umich.edu
Mon Jun 14 03:04:38 CEST 2010
Hi,
I'm a newbie to wien2k. I have done some abinit calculation with
silicon. So, I just wanted to start with Silicon again to test it.
However, when I put the structure in, it gives me a very different
structure. I'm not sure what I am doing wrong. My inputs for StructGen
for Silicon is
Spacegroup 227_Fd-3m
Lattice parameters A 5.43 5.43 5.43
90 90 90
Si 0 0 0
Si 0.25 0.25 0.25
Is this correct? I'm used to inputing lattice vectors.
Thanks for the help
Jedo
--
================================
Jedo Kim, Ph.D Candidate
Heat Transfer Physics Laboratory
2350 Hayward, 2186 GG Brown Bldg.
University of Michigan, Ann Arbor, MI 48109-2143
Email: jedokim at umich.edu, jdzbox at hotmail.com
Tel: 734-764-3487 (o); 734-276-8370 (cell)
http://sitemaker.umich.edu/kaviany
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