[Wien] optical property

[M.Y.Wu]

Hi Oscar and others,

Check the joint.f and kram.f file, you will find the case.joint from x 
joint with switch 6 is not suitable for the input for kram.f any more. As I 
have no idea for the physical meaning inside the program, I don't know what 
is the proper way to modify it. So if some one knows, please do it.

Best regards,
Mengyue


At 10:05 PM 5/12/2004, you wrote:
>Hello Mengyue:
>
>I noticed that you have specified three different values  for BROADENING in
>your *.injoint file.
>I think you should specify just two numbers according to the NUMBER OF
>COLUMNS that you have.  Look at the file $SRC_joint/joint.f , line 158.
>
>Oscar.
>
>
>
>
> > Question on optical property part:
> >
> > while I do x joint with switch 4, there is no problem. But while I try
> > switch 6 for adding intraband contributions, I got error in x kram.
> >
> >
> > Input/Output Error 148: Invalid character
> >
> >     In Procedure: main program
> >          At Line: 82
> >
> >        Statement: Formatted READ
> >             Unit: 10
> >     Connected To: tic.joint
> >             Form: Formatted
> >           Access: Sequential
> > Records Read   : 1
> > Records Written: 0
> >
> > Current I/O Buffer:
> >
> >     Energy  [eV]   Im(eps)xx      Im(eps)zz      Re(eps)xx
> >                                        !
> >
> >
> > End of diagnostics
> >
> > 0.001u 0.001s 0:00.00 0.0%      0+0k 0+0io 163pf+0w
> > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> > ~~~~~~~~~~~~~~inopt file~~~~~~~~~~~~`100 1        number of k-points,
>first
> > k-point
> > -5.0 2.2      Emin, Emax for matrix elements
> > 3             number of choices (columns in *outmat) - 0: MME into
>case.mme
> > 1             Re xx
> > 2             Re yy
> > 3             Re zz
> > OFF           ON/OFF   writes MME to unit 4
> >
> > ~~~~~~~~~~~~~~~~~ injoint file~~~~~~~~~~~~~~~```
> >      1   43                    : LOWER AND UPPER BANDINDEX
> >     0.0000    0.00100   1.0000 : EMIN DE EMAX FOR ENERGYGRID IN ryd
> > eV                            : output units  eV / ryd  / cm-1
> >       6                        : SWITCH
> >       2                        : NUMBER OF COLUMNS
> >     0.1  0.1  0.3              : BROADENING (FOR DRUDE MODEL - switch
>6,7 -
> > ONLY)
> >
> > ~~~~~~~inkram file~~~~~~
> >    0.1    Gamma: broadening of interband spectrum
> >    0.0    energy shift (scissors operator)
> >    1      add intraband contributions? yes/no: 1/0
> >   12.60   plasma frequencies  (from joint, opt 6)
> >    0.20   Gammas for Drude terms
> > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~`
> > How do i get plasma frequencies from joint?
> >
> > I would appreciate if any one of you can help me.
> >
> > Best regards,
> >
> > Mengyue
> >
> >
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>
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