[Wien] mbj and so

[Sahra Sahraii]

Dear WIEN2k users
I am running wien2k_12, I am trying  So calculation first time using InSb crystal .
I face  some problems when I want to
perform the so calculations :
1- I don,t know how should I edit the Insb. inso for
the system that is not a spinpolarized system.
WFFIL
 4  1  0                      llmax,ipr,kpot 
 -10.0000   1.50000           emin,emax (output energy window)
   0.  0.  1.                 direction of
magnetization (lattice vectors)
 NX                           number of atoms for
which RLO is added
 NX1   -4.97      0.0005      atom number,e-lo,de
(case.in1), repeat NX times
 0 0 0 0 0                    number of atoms for which
SO is switch off; atoms
 
                                                                                                                                                           for
InSb crystal in line 4,5 and 6.  What are the direction of magnetization, NX
and NX1  
 
 
2- I want to calculate the band gap of this compound using modified Beck-Johnson potential (mbj) , so I  want to perform mbj calculations with so, but I do not know how should I do that, for performing  the calculations of band gap using mbj potential I  use the following steps:
1-      Running regular initialization and scf 
2-      Creating. Inm_vresp
3-      Editing InSb. In0 and setting  R2V option.
4-      Running  one more scf cycle .
5-      Savinge the calculation.
6-      Editing theInSb.in0 and changing the functional to option indxc=28
7-      Copying the InSb. In0 InSb. In0_grr and changing indxc in Insb. In0_grr to 50.
8-      Running another scf cycle.
 On the other hand for
doing so calculations, after generating the structure file and initializing, I
run a scf cycle with SO option, but I don,t know  what should I do when I want to run a scf
cycle with so option and mbj potential.
best regards
sahraii
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