[Wien] Optical Properties

[Choudhary,Kamal]

Hi

I am trying to reproduce the optical properties of ytrium alumunium garnet as published in Xu, Y.N., Chen, Y., et al., Phys. Rev. B 65, 235105 (2002) with WIEN2k. After doing a gamma point calculation for 160 atoms, I got nice density of states, but my optical properties doesn't seem to be good. I used the following input files:
1) case.inop
1 1 number of k-points, first k-point
-5.0 2.0 energy window for matrix elements
1 number of cases (see choices)
1 Re <x><x>
OFF write unsymmetrized matrix elements to file?

2) case.injoint
 1  1504 1504              : LOWER,UPPER and (optional) UPPER-VAL BANDINDEX
   0.0000    0.00100   1.0000 : EMIN DE EMAX FOR ENERGYGRID IN ryd
eV                            : output units  eV / ryd  / cm-1
     6                        : SWITCH
     2                        : NUMBER OF COLUMNS
   0.1  0.1  0.3              : BROADENING (FOR DRUDE MODEL - switch 6,7 -
ONLY)


3)case.inkram
 0.1    Gamma: broadening of interband spectrum
  0.0    energy shift (scissors operator)
  0      add intraband contributions? yes/no: 1/0
 0.0   plasma frequencies  (from joint, opt 6)
  0.20   Gammas for Drude terms

But, in the outputjoin files and epsilon files I am getting Re(eps) 1 and Im(eps) zero, which shouldn't be:
==================================================
 Plasma frequencies:

       w_p_xx    [eV]

       0.0000
#  Energy  [eV]   Im(eps)xx      Re(eps)xx

     0.013606   0.000000E+00   0.100000E+01
     0.027211   0.000000E+00   0.100000E+01
     0.040817   0.000000E+00   0.100000E+01
     0.054423   0.000000E+00   0.100000E+01
     0.068028   0.000000E+00   0.100000E+01
     0.081634   0.000000E+00   0.100000E+01
     0.095240   0.000000E+00   0.100000E+01
     0.108846   0.000000E+00   0.100000E+01
     0.122451   0.000000E+00   0.100000E+01
     0.136057   0.000000E+00   0.100000E+01
     0.149663   0.000000E+00   0.100000E+01
============================================

I tried  both swith 4 and 6 in injoint files leading to same result.
Could anyone please tell me where am I doing mistake?

Best Regards
Kamal Choudhary
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