[Wien] DMAT and orbital momentum

[mansore ilkhani]

Dear WIEN users,
  I tried to change density matrix to increase the orbital moment in a spin polarized case. First I ran “ runsp_lapw –so –orbc “ for 10 iterations. Following programs were run:
  LAPW0
  LAPW1
  LAPW1
  LAPW2
  LAPW2
  CORE
  CORE
  MIXER
  ORB and LAPWDM were not run. Is it correct?
  Then I ran “ runsp_lapw –so –orb” for some iterations. Following programs were run:
  LAPW0
  ORB
  ORB
  LAPW1
  LAPW1
  LAPW2
  LAPW2
  LAPWDM
  CORE
  CORE
  MIXER
  Density matrix was changed rapidly in the first three iterations and so orbital moment decreased. What should I do?
  Regards,
  M. Ilkhani
   

       
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