[Wien] case.inst and

NAJMEH SOLTANI naj23s at yahoo.com
Thu Oct 26 10:15:03 CEST 2006


Dear Steffan
  thanks a lot for your answer.
  I 'm not sure does istgen mean to make a change in the file case.inst?I know that in case.inst I just can flip spin.should I do another change in case.inst?I try to explain clear agin for you.
  I have a unit cell  for LaCrO3 with 4 formula unit in ortho structure so I have one type Cr with four position in the unit cell and I want to break this symetry and construct Cr1 with two position and Cr2 with another two position in that unit cell in order to obtain G-type AFM.-->    <--
                                          <--    -->
  It shows the direction of spins for Cr in unit cell.two arrows in right direction are for example Cr1 and the two arrows in left direction are Cr2.
  Do you have any suugestion for constructing this?
  Regards,
  Najmeh 

 		
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