[Wien] Optical properties

[ali hamidani]

Dear wien users,

I'm using wien2k to calculate the Kerr angles in a material and I had a
problem with sigmaxx. So I tried to reproduce the results which are given in
the reference '' Jianqiu Cai et al. journal of magnetism and magnetic
materials 292 (2005) 476-482'' but I couldn't, I found the Imaginary part of
sigmaxx  always positive Knowing that I was used the Following procedure;
runsp_lapw -so
x kgen -so (cp /case.struct  /case.ksym)
runsp_lapw -so -s lapw1 -e lcore
x opticc -so -up/dn
x joint -so -up/dn
(run x joint with switch 6 for obtained plasma frequencies and I run  with
switch 4)
x kram -so -up/dn
Co2TiSn.inop--------------------
1063 1       number of k-points, first k-point
-6.0 2.0      Emin, Emax for matrix elements
2             number of choices (columns in *outmat) - 0: MME into case.mme
1             Re xx
7             Im xy
OFF           ON/OFF   writes MME to unit 4
Co2TiSn.injoint---------------------
1  70 42              : LOWER,UPPER and (optional) UPPER-VAL BANDINDEX
0.0000    0.00100   2.0000 : EMIN DE EMAX FOR ENERGYGRID IN ryd
eV                            : output units  eV / ryd  / cm-1
     4                        : SWITCH
     2                        : NUMBER OF COLUMNS
   0.1  0.1  0.3              : BROADENING (FOR DRUDE MODEL - switch 6,7)
Co2TiSn.inkram-------------------
0.1    Gamma: broadening of interband spectrum
  0.0    energy shift (scissors operator)
  1      add intraband contributions? yes/no: 1/0
 8.709 8.709  plasma frequencies  (from joint, opt 6)
  0.06 0.06  Gammas for Drude terms

Can someone tell me where I am wrong?

I will appreciate too much the help.

A. Hamidani
University of Guelma, Algeria
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