[Wien] (no subject)

Ghazal Bishal gh.bishal at gmail.com
Sun Apr 7 21:13:03 CEST 2013


 Dear Wien2k users and Developer,

I am trying to calculate the optical properties of fcc Pt with spin
orbit coupling as a sample. For this I have done in the first step the
calculation SO (initialize and initso then run_lapw -so )then I
completed all the steps to start the stage x kram, using the "x kram
-so ." This step has been discontinued and I found the following
message:
Commandline:  x kram
Program input is: ""

 xx
  Energy units:  [eV]
  Lorentzian broadening with gamma:   0.100000000000000       [eV]
        5001  data points
  ENERGY INCREMENT:   1.361000000000000E-002
 intraband contributions prepared
 losmo1 called to perform KK for Im to Re
 sum rule 1: Int(sigma)dw    NaN
 sum rule 2: Int(eloss.w)dw  NaN
 sum rule 3: Int(eloss/w)dw  NaN
 KK with broadening done
0.300u 0.040s 0:00.63 53.9%	0+0k 0+0io 0pf+0w


Continue with


 I want to know:  what this message means and how I can fix this
error. I really need to solve this as I am in the final stage of my
work.
Thank you for your answer in advance. I am very grateful


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