[Pw_forum] Raman Intensity

[程迎春]

    Thank you for your reply!
I use the dynmat.x to calculate alas.dynG, and have some questions about the
results.
***************************************************************************************************
#  mode   [cm-1]     [THz]      IR       Raman     depol
    1      0.00    0.0000    0.0000     0.0006    0.7500
    2      0.00    0.0000    0.0000     0.0006    0.7500
    3      0.00    0.0000    0.0000     0.0006    0.7500
    4    356.47   10.6866    5.4447    29.3043    0.7500
    5    356.47   10.6866    5.4447    29.3043    0.7500
    6    356.47   10.6866    5.4447    29.3043    0.7500
***************************************************************************************************
Do the column "IR" and "Raman"  stand for the IR intensity and Raman
intensity?
And what does depol stand for?

2008/4/18, Eyvaz Isaev <eyvaz_isaev at yahoo.com>:
>
> Hi,
>
> > I have another question
> about the alas.dynG.
> > 1.Do omega 1, 2, 3
> stand for the acoustic mode?
>
> Yes,
> of course.
>
> > 2.How can I get the
> Raman intensities?(the last but
> > not the
> least!)
>
> As far as I remember you
> should use dynmat.x to get such a kind
> information.
>
> Bests,
> Eyvaz.
>
>
> >
> >
> **************************************************************************
> >
>     omega( 1) =       0.043635 [THz] =
>
> > 1.455501 [cm-1]
> >  ( -0.499893
> 0.000000  0.432764  0.000000 -0.250591
> >
> 0.000000 )
> >  ( -0.499920  0.000000  0.432787
> 0.000000 -0.250604
> >  0.000000 )
> >
>    omega( 2) =       0.043635 [THz] =
>
> > 1.455501 [cm-1]
> >  (  0.189458
> 0.000000 -0.164016  0.000000 -0.661194
> >
> 0.000000 )
> >  (  0.189468  0.000000 -0.164025
> 0.000000 -0.661229
> >  0.000000 )
> >
>    omega( 3) =       0.043635 [THz] =
>
> > 1.455501 [cm-1]
> >  ( -0.462802
> 0.000000 -0.534591  0.000000  0.000000
> >
> 0.000000 )
> >  ( -0.462827  0.000000 -0.534620
> 0.000000  0.000000
> >  0.000000 )
> >
>    omega( 4) =      10.686462 [THz] =
> >
> 356.464369 [cm-1]
> >  ( -0.105298  0.000000
> 0.234486  0.000000  0.253351
> >  0.000000
> )
> >  (  0.272091  0.000000 -0.605913
> 0.000000 -0.654659
> >  0.000000 )
> >
>   omega( 5) =      10.686462 [THz] =
> >
> 356.464369 [cm-1]
> >  (  0.329240  0.000000
> 0.147848  0.000000  0.000000
> >  0.000000
> )
> >  ( -0.850757  0.000000 -0.382040
> 0.000000  0.000000
> >  0.000000 )
> >
>   omega( 6) =      10.686462 [THz] =
> >
> 356.464369 [cm-1]
> >  ( -0.103785  0.000000
> 0.231118  0.000000 -0.257044
> >  0.000000
> )
> >  (  0.268182  0.000000 -0.597208
> 0.000000  0.664201
> >  0.000000 )
> >
>
> >
> **************************************************************************
> >
>
> >
> > --
> > Y. C.
> Cheng
> > Department of Phyics
> >
> Nanjing University
> > Nanjing
> 210093
> > P. R. China
> > Tel:
> 86-25-83592907
> > Email:
> yccheng.nju at gmail.com
> > >
> _______________________________________________
> >
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> >
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> >
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> >
>
>
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
> Russia,
> IFM, Linkoping University, Sweden
> Condensed Matter Theory Group, Uppsala University, Sweden
> Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com
>
>
>
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-- 
Y. C. Cheng
Department of Phyics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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