[Wien] compilation problem of wien2k

[Ricardo Faccio]

Dear Pradeep
    Here you have a cif file with all the information about In2O3. In this structure you have two inequivalentes In atoms. 
Regards
Ricardo
-------------------------------------------------------------------------
-----   Ing. Quím. Ricardo Faccio
 
  Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
  Facultad de Química, Universidad de la República
       Av. Gral. Flores 2124, C.C. 1157
       C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9241860 Int. 109
             598 2 9290705
  Fax:    598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
  ----- Original Message ----- 
  From: Udai Verma 
  To: A Mailing list for WIEN2k users 
  Sent: Wednesday, October 31, 2007 9:30 PM
  Subject: Re: [Wien] compilation problem of wien2k


  Dear Users,

  Could any body help me how to define the atomic postion in case of In2O3 (Bixbyite structure)

  As I have taken  0 0 0 (In)  and .25 .25 .25 O and space group is 206 (la-3) is it ok.

  Pradeep


------------------------------------------------------------------------------


  _______________________________________________
  Wien mailing list
  Wien at zeus.theochem.tuwien.ac.at
  http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20071031/407c81bd/attachment.html
-------------- next part --------------
A non-text attachment was scrubbed...
Name: in2o3.cif
Type: application/octet-stream
Size: 2645 bytes
Desc: not available
Url : http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20071031/407c81bd/in2o3.obj