[Wien] Optic and Intaband

NAJMEH SOLTANI naj23s at yahoo.com
Sat Oct 14 10:37:12 CEST 2006


To whom it may concern,
  Please tell me which sumrull is correct when I correct the file case.inkram. there are some choices that all of them give me the sumrull,
  first I put Gamma=0.0 and I add Intraband contribution in the file by putting number1.and the result for the
   Integral of  Im(epsilon)*dw=24.53
   Integral of eloss*w*dw=24.57
   Integral of (eloss/w)*dw=1.57
  second I put Gamma=0.0 and I do not add intraband contribution.
   Integral of  Im(epsilon)*dw=17.62
   Integral of eloss*w*dw=17.67
   Integral of (eloss/w)*dw=1.26
  third I put Gama=0.1 and I add Intraband contribution.
   Integral of  Im(epsilon)*dw=24.52
   Integral of eloss*w*dw=24.44
   Integral of (eloss/w)*dw=1.56
  All of them give different sumrulles  for LaCrO3 in cubic Phase.I know that LaCrO3 has 27 electron in primitive cell.I don't know which one is correct?
  Best Regards,
  Najmeh Soltani
   

 		
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