[Wien] calculations of spin-dipole hyperfine fields

[Igor Mazin]

Dear All,

I am using WIEN2k_03 to calculate spin-dipole
hyperfine fields via the lapwdm module. 

I attempt to test is on the hcp Os

I first run runsp -orb, using the following case.indm
file:
   -9.00000
   1           ! number of atoms with orb
   1  3  0  1  2     ! for Os1 take l=  0  1  2
   0  0
and the following .inorb:
   3  1  1
PRATT 0.2
   1  3  0  1  2     ! for Os1 take l=  0  1  2
   234.969           ! Hext in T   1.000000E-03  in Ry
   1.00000  0.000000  .000000         !field
direction, lattice coord

and, of course, the crystal symmetry is reduced to be
tetragonal. Having converged the calculations, I
change tha last line in .indm to "3 5" and run lapwdm
-up and lapwdm -dn. My understanding is that
subtracting the "up" and "dn" results I should get the
spin-sipole h.f.
I then repeat the same procedure directing the field
along 001. I expect the h.f. to change substantially,
since the average of the in-plane and out-of-plane
h.f. should be zero. But the results do not change at
all.

What am I doing wrong?

Thanks...



		
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