[Pw_forum] Raman Spectra

Amreen Bano banoamreen.7 at gmail.com
Thu Jun 18 07:01:49 CEST 2015


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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