[Wien] Question on SRC_kram

[whoming]

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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