[Wien] MAE ERROR

[Nileema Sharma]

Dear P. Blaha and WIEN2k users,
I am new to WIEN2k and using 18.2 version of it.
I am trying to apply force theorem to calculate MAE, by applying SOC in 100
and 001 directions for spinpolarized hexagonal system.
I followed following steps for Force theorem
-took scf converged file to new directory.
-edited case.indm and case.indmc files with necessary changes in the same
directory
-initso_lapw (all atoms were applied SOC, used default values of EMAX
default, RLO to all, used new structure after SO)
-x lapw1 -up/-dn
-x lapwso -up
-x lapw2 -so -up/-dn
First I tried to use low symmetry 1_P1 structure in which I was unable to
proceed beyond "x lapw2  -so -up/-dn" with an error "LAPW2: semi-core band
ranges too large."
So, I have used the original structure for calculation (high symmetry
structure-24 symmetry)
In this case 001 direction works fine, but in 100 direction number of
in-equivalent atoms increases and symmetry is reduced to 8.
Would it effect my further calculations and the result for MAE?
If I can resolve this problem can you please suggest me the best way to get
rid of these problems?
Thank you!!
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