[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

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