[Wien] How to construct AF II CoO supercell
Haiming Li
lhm at ustc.edu
Wed Oct 18 11:43:57 CEST 2006
Dear WIEN2k users,
WIEN2k gives us examples under the directory example_struct_files.
I find there is CoO antiferromagnetic structure file (coo.struct). I test it
and it work well. Now I want to introduce a metallic atom impurity, like Fe,
to replace one of the Co. So I must construct supercell (2*2*2).
Problem comes. When I run supercell, it appears:
Fatal Error occured:
Unknown lattice type: R
Program terminated.
I want to ask why does the problem occur and how to deal with it.
Thank you very much.
Haiming Li
2006-10-18
--------------
Haiming Li
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
19 Yu Quan Lu, 100049 Beijing, P.R. China
Tel: +86 10 8823 3052 ; +86 135 8190 2824
E-mail:lihm at ihep.ac.cn
--
USTC Alumni Email System
More information about the Wien
mailing list