[Pw_forum] Raman Intensity

[Eyvaz Isaev]

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
> >
_______________________________________________
>
Pw_forum mailing list
>
Pw_forum at pwscf.org
>
http://www.democritos.it/mailman/listinfo/pw_forum
> 


-------------------------------------------------------------------
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


      ____________________________________________________________________________________
Be a better friend, newshound, and 
know-it-all with Yahoo! Mobile.  Try it now.  http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ