[Wien] Too large orbital polarization with orbital polarization potential Vop And Total energy of easy axis and hard axis is reversed !!

yasuharu_shiraishi at fujifilm.co.jp yasuharu_shiraishi at fujifilm.co.jp
Tue Sep 6 04:04:22 CEST 2005


Dear Gerhard,


  Thank you!!

  I always check charge convergence,
  But I think I should consider about orbital polarization more.
  I will continue MAE calculation with orbital polarization potential Vop,
  And  I  should  also  investigate other parameter like charge convergence
  again.
  Sorry, Please tell me reference of KKR-ASA calculation.

  Best regard.




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