[Wien] .struct file syntax
Travis Sefzik
tsefzik at chemistry.ohio-state.edu
Sat Jun 18 20:58:12 CEST 2005
I was wondering if anybody could explain to me how the following line
works (second line in a struct file):
R LATTICE,NONEQUIV.ATOMS: 2167_R-3c
What I am interested in is what the "2" that proceeds my space group
number means.
I know that R is my lattice type, the "167" in 2167 means that I am
using space group number 167 (R-3c), but I don't understand the "2".
Thanks,
Travis
---
Travis Sefzik
Grandinetti Group
Chemistry Department
The Ohio State University
100 W. 18th Ave.
Columbus, OH 43210
phone: (614) 292-8064
fax: (614) 292-0559
email: tsefzik at chemistry.ohio-state.edu
home: www.chemistry.ohio-state.edu/~tsefzik
More information about the Wien
mailing list