[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
================================



More information about the Wien mailing list