[Wien] DOS with spin-orbit

John Appleton banger_deep at yahoo.com
Tue Apr 22 18:05:13 CEST 2008


Dear users,
  I wish to ask a question concerning the 
  density of states when SO is present. 
  As is known, SO no longer makes spin 
  a good quantum number yet WIEN2k allows 
  the spin-up and spin-dn DOS to be computed 
  when SO is present. In such a case how does 
  one interpret spin-up and spin-dn DOS. For example, 
  does spin-up DOS for p correspond to p_1/2 and 
  spin-dn DOS for p correspond to p_3/2 ? If the answer 
  is no, how does one compute the "actual" p_1/2 and 
  p_3/2 DOS.

  Thanks



   
         

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080422/a3163bc9/attachment.html


More information about the Wien mailing list