[Wien] optical property

[Oscar D. Restrepo]

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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