[Pw_forum] Raman Spectra

[ashkan shekaari]

Dear
Espresso is weak in optical area because of its pseudization method

Kind regards
Ashkan Shekaari
Tell: +98 933 459 7122 ; +98 921 346 7384
Website: http://fizx.blogfa.com
Skype: ashkan-shekaari
On Jun 18, 2015 9:32 AM, "Amreen Bano" <banoamreen.7 at gmail.com> wrote:

> Dear all,
>
> I am working on optical properties.
> I have run dynmat.x file and obtained the output below:
>
> # mode   [cm-1]    [THz]      IR          Raman   depol.fact
>     1   -487.60  -14.6178   37.7287       277.8609    0.6461
>     2     -0.00   -0.0000    0.0000    334597.4170    0.7437
>     3     -0.00   -0.0000    0.0000      8113.2975    0.7291
>     4     -0.00   -0.0000    0.0000     25779.9020    0.7455
>     5      0.00    0.0000    0.0000      6417.8442    0.6634
>     6      0.00    0.0000    0.0000       171.7054    0.6246
>     7      0.00    0.0000    0.0000     29050.2808    0.7489
>     8     56.80    1.7028    4.4068    273118.7875    0.7446
>     9    160.49    4.8115   11.3630     55305.2885    0.7395
>    10    223.34    6.6954    3.8373     91527.1127    0.7438
>    11    327.82    9.8277    2.9918     21597.6373    0.7373
>    12    351.66   10.5424    1.9769   1081889.8225    0.7431
>    13    555.84   16.6637    3.8963     13013.8834    0.2450
>    14    748.23   22.4315    9.1009      3164.2275    0.1576
>    15    790.74   23.7059    5.1725       764.0895    0.5078.
> With the 2nd and 5th column i can form raman spectra, but output contains
> very few values which is giving abnormal plot.
> how can i plot a correct and smooth plot for raman spectra.
> please suggest me the correct path.
>
> --
> Amreen Bano
> Department of Physics,
> Barkatullah University,
> Bhopal-462 026
> INDIA
> +91-9993515955
> banoamreen.7 at gmail.com
>
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