[Wien] Question on SRC_kram

[whoming]

Dear Torsten Andersen and others,

         Thank you very much for you kind reply!
         Would you please tell me more details on the broadening approach
used in WIEN2K_03?
         In fact I am still puzzled by the results I got from my calculation. If you try 
run "x kram" with the first line in case.inkram like "  0.01    Gamma: broadening 
of interband spectrum"  and  "  0.00    Gamma: broadening of interband spectrum" , 
the case.sigmakup in the two cases will have exchanged Real and Imaginary part 
of optical conductivity.
        Would you all please have a test on this and give me some hints on it?
        Thank you and best wishes!

Yours,
Whoming
----- Original Message ----- 
From: "Torsten Andersen" <thor at physik.uni-kl.de>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, October 09, 2003 6:40 PM
Subject: Re: [Wien] Question on SRC_kram


> Dear Whoming,
> 
> i*(-i)=1, and broadening is usually an imaginary quantity.
> 
> Best regards,
> Torsten Andersen.
> 
> whoming wrote:
> > Dear all,
> >        Would you please give me some comments or discuss this problem
> > with me?
> > Thank you!
> > Yours,
> > whoming
> > ----- Original Message ----- 
> > From: "whoming" <whoming at sohu.com>
> > To: <wien at zeus.theochem.tuwien.ac.at>
> > Sent: Monday, October 06, 2003 3:56 PM
> > Subject: [Wien] Question on SRC_kram
> > 
> > 
> > 
> >>Dear WIEN2K users,
> >>        I have read the source code of SRC_kram/kram.f(WIEN2K_03).
> >>I am puzzled by two lines in it:
> >>When doing KK without broadening, the sig(i,j) is calculated by:
> >>       sig(i,j)=-iimag*sigfac*eps(i,j)*xe(i)
> >>
> >>But when doing KK with broadening, the sig(i,j) is:
> >>      sig(i,j)=sigfac*eps(i,j)*xe(i)
> >>
> >>Would you please help me to understand this difference?And which one
> >>is OK?
> >>Thank you very much!
> >>
> >>Yours,
> >>whoming
> >>
> >>
> >>_______________________________________________
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> >>Wien at zeus.theochem.tuwien.ac.at
> >>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>
> >>
> > 
> > 
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> > 
> 
> -- 
> Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
> AG Hübner, Department of Physics, Kaiserslautern University, and
> Condensed Matter Theory Group, Department of Physics, Uppsala University
> Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/ 
> 
> 
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