[Wien] Problem in AntiForroMagnetic calculation, please !!!

Benali Ben kanoun_benali at yahoo.fr
Thu Dec 7 16:38:36 CET 2006


  Dear Users:
   
  I desired to make an example of AFM calculation.
   Thus I used the example (Cr_af) in exemple of Wien2k.
   I carried out all the steps: 
   
  - Flipped in inst..
   When I carry out X afminput, 
  I give : case.struct_supergroup present
 The super and subgroups are KLASSENGLEICH
 You must specify a translation vector which transforms the
 spin-up into the spin-dn atom (e.g.: 0.5,0.5,0.5 for AFM bcc Cr)!
after :
  I found anything in the file outputafminput and inclmcopy_st
   
   
   
thank you for helping me.  

 		
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