[Wien] Too large orbital polarization with orbital polarization potential Vop

[yasuharu_shiraishi at fujifilm.co.jp]

Dear Wien-users,

  Now I calculate FePt ternaly ordered alloy on spin-polarization
  with spin-obit interaction and orbital polarization potential Vop.
  I want to calculate orbital moment accurately as possible as I can.
  I calculate orbital moment of FePt on spin-polarization
  with spin-orbit interaction and orbital polarization.
  Orbital polarization potential Vop is calculated by ab-initio.
  Outcome is as follows.

  Fe   0.298
  Pt   0.054

  Orbital  moment  of FePt in other paper(Physical Review B, 63, 144409) is
  as follows.

  Fe   0.110
  Pt   0.048

  I  think  orbital moment of FePt (especially Fe) in my calculation is too
  large.
  I think because coefficient of Vop is too large.
  If I use half value of coefficient of Vop which calculated by ab-initio,
  outcome of orbital moment is as follows.

  Fe  0.113
  Pt  0.048

  So I can get almost same value of this paper.
  I think calculation of Vop by ab-initio in WIEN2k is too large.
  So I think I can not calculate orbital moment with orbital polarization
  by ab-initio in WIEN2k.
  Is it Ok?
  Best regards.



  Structure of FePt is as follows.FePt is metal.

  Fe  (0.0  0.0  0.0)
  Pt  (0.5  0.5  0.5)


  My case.inorb file is as follows.
  2.  2.  0.      nmod, natorb,ipr
  PRATT, 1.0     mixmod,amix
  1  1  2        iatom,nlorb,lorb
  2  1  2        iatom,nlorb,lorb
  1              nmodop
  1              Ncalc
  1              Ncalc
  0.  0.  1.      direction of M in terms of lattice vectors.