[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]

Dear Gerhard and Steffan,

  Thank you!!
  I will calculate orbital moment with different Muffin-tin radius from now
  on!

  But I think that orbital moment of Fe is too large as compared with
  experimental value.(Physical Review B, 63, 144409)
  My calculation and experimental value of orbital moment is as follows.

  my calculation
  Fe  0.298
  Pt  0.054

  experimental value
  Fe  0.07
  Pt  0.10

  And sorry, I have more one question about MAE.
  If I calculate total energy with orbital polarization potential Vop,
  Total energy of easy axis and hard axis is reversed !!
  Outcome is as follows !!

  My calculation of Total energy with FePt on spin-polarization
  with spin-orbit interaction is as follows.

  FePt[001](easy axis)     -39414.569518(Ry)
  FePt[110](hard axis)      -39414.569367(Ry)

  I get MAE as follows
    MAE = Total energy[1 1 0] (hard axis) - Total energy[0 0 1] (easy axis)

  So I get MAE as 0.000151(Ry).

  But  I calculate MAE on spin polarization with spin-orbit interaction and
  orbital polarization potential.
  Outcome is as follows.

  FePt[001](easy axis)       -39414.570737(Ry)
  FePt[110](hard axis)        -39414.572893(Ry)

  So  I get MAE as -0.002156 Ry, total energy of easy axis and hard axis is
  reversed!!

  Experimental  value  is  0.000090Ry,  so  if I calculate MAE with orbital
  polarization,
  I  get  strange  value  and  total  energy  of easy axis and hard axis is
  reversed!!
  I think if I want to calculate MAE, I should not use orbital polarization
  potential
  Vop in WIEN2k. Is it Ok?
  And is algorithm of orbital polarization in Wien2k useful?
  Best regards.