[Wien] Orbital moment

[yasuharu_shiraishi at fujifilm.co.jp]

Dear wien-users,
  I calculate orbital moment of FePt with so + op calculation
  (k=1000,R*Kmax=7.0,Gmax=14.0,Emax=10.0)
  (coordinate of Fe is (0 0 0) and Pt is (0.5 0.5 0.5)).
  But calculated orbital moment of Fe is too large as follows.

  Fe  0.318 (0.110, (Physical Review B 67,172407(2003)) )
  Pt  0.047 (0.048, (Physical Review B 67,172407(2003)) )

  Can anyone tell me where I am wrong? Best regards.

  My calculation is as follows

  init_lapw
  initso_lapw(direction of M is (0, 0, 1,))
  x dstart　(because symmetry changes)
  x dstart -up
  x dstart -dn
  runsp_lapw -i 512 -cc 0.000001
  save_lapw case_nrel
  runsp_lapw -so -i 512 -cc 0.000001
  save_lapw case_nrel
  runsp_lapw -so -orb -i 512 -cc 0.000001
  x lapwdm -up -so -c

  My case.indmc file is as follows

  -9.   Emin cutoff energy
  2    number of atoms
  0   1  2
  1   1  2
  0   0

  My case.inorb file is as follows

  2  2  0
  BROYD  0.4
  1  2  2
  2  1  2
  0         nmodop
  1         Ncalc
  1         Ncalc
  0.  0.  1.  direction of M