[Wien] Question on SRC_kram

[Torsten Andersen]

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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>>
>>
> 
> 
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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/