[Wien] Calculation of optical properties by including Spin-orbit interaction-reg.

[Yedu Kondalu]

Dear Prof.  Peter Blaha and Wien users,

  In order to calculate optical properties of a material by including
spin-orbit coupling, I used the following steps.

     x kgen
     x lapw1
     x lapwso
     x lapw2 -fermi -so
     x optic -so
     x joint
     x kram

After completion of x optic -so step, I got the case.symmat file, which
contains the following information in it.

          3  Re <x><x>    Re <y><y>    Re <z><z>          ALL

   KP:     1 NEMIN NEMAX :     1  100 dE: -5.0  5.0 K:         1

      1   1 NaN          NaN          NaN
      1   2 0.000000E+00 0.000000E+00 0.000000E+00
      1   3 NaN          NaN          NaN
      1   4 NaN          NaN          NaN
      1   5 NaN          NaN          NaN
      1   6 NaN          NaN          NaN
      1   7 NaN          NaN          NaN
      1   8 NaN          NaN          NaN
      1   9 NaN          NaN          NaN
      1  10 NaN          NaN          NaN
      1  11 NaN          NaN          NaN
      1  12 NaN          NaN          NaN
      1  13 NaN          NaN          NaN
      1  14 NaN          NaN          NaN
      1  15 NaN          NaN          NaN
      ..................................................
      .................................................. so on.

How to rectify this problem ?

Thanks in advance

Regards
Yedukondalu. N
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