[QE-users] Raman spectra in ph.x

[LEUNG Clarence]

Dear QE users,

I have calculated the Raman spectra by ph.x and get the Raman intensities as follows,
     IR activities are in (D/A)^2/amu units
     Raman activities are in A^4/amu units
     multiply Raman by 0.000001 for Clausius-Mossotti correction

# mode   [cm-1]    [THz]      IR          Raman   depol.fact
    1   -132.65   -3.9767 6224.9445***************    0.7500
    2     -0.00   -0.0000    0.0000***************    0.3332
    3     -0.00   -0.0000    0.0000***************    0.3332
    4      0.00    0.0000    0.0000***************    0.3331
    5     55.93    1.6768    0.1942***************    0.3333
    6     61.24    1.8359    1.5977***************    0.3331
    7     73.29    2.1972 2862.4215***************    0.7500
    8     99.27    2.9760    7.5900***************    0.3336
    9    129.70    3.8884    0.6027***************    0.3321
   10    136.35    4.0876 1619.7360***************    0.7500
   11    152.66    4.5767    4.2782***************    0.7500
   12    164.29    4.9252   42.3535***************    0.7500
   13    171.17    5.1314    0.1938***************    0.3334
   14    192.50    5.7710    3.6353***************    0.3335
   15    199.52    5.9813  623.13561303043985.7990    0.7500
   16    227.40    6.8172    0.4717***************    0.3338
   17    231.12    6.9289   74.5713   6335725.3238    0.7500
   18    236.53    7.0910    2.1405***************    0.3335
   19    247.65    7.424413167.8731***************    0.7500
   20    254.81    7.6391  375.5599 924738689.4870    0.7500
   21    260.20    7.8007    1.5258***************    0.3338
   22    279.70    8.3852   13.7148***************    0.3336
   23    284.70    8.5351 1053.99555778848095.7018    0.7500
   24    293.13    8.7877    9.5205***************    0.3327
   25    299.36    8.9746  129.1377***************    0.7500
   26    326.30    9.7821    2.3697***************    0.3339
   27    334.88   10.0394 5614.3467***************    0.7500
   28    338.50   10.1481    1.3735***************    0.3337
   29    340.61   10.2113   10.7158***************    0.3340
   30    340.99   10.2227  325.4911***************    0.7500
   31    359.49   10.7773    0.3363***************    0.3267
   32    370.87   11.1185   18.9922***************    0.7500
   33    374.46   11.2262   37.0938***************    0.3314
   34    393.04   11.7832 4951.81453931512482.2281    0.7500
   35    403.76   12.1046   10.8484***************    0.3309
   36    406.49   12.1862 4720.95178962330416.6185    0.7500
   37    407.41   12.2139    7.0313***************    0.3353
   38    415.81   12.4656   36.3063***************    0.3334
   39    427.99   12.8309   10.6447***************    0.3332
   40    431.00   12.9211   18.1921***************    0.3281
   41    436.31   13.0802 1775.7072***************    0.7500
   42    468.14   14.0345 6612.6368***************    0.7500
   43    473.72   14.2017   41.1439***************    0.3336
   44    506.16   15.1744 1211.1033***************    0.7500
   45    522.95   15.6777    1.7979***************    0.3347
   46    524.65   15.7287    0.8167***************    0.3328
   47    559.06   16.7603   34.3926***************    0.3327
   48    586.02   17.5684 4895.2187***************    0.7500
   49    633.11   18.9802   11.6471***************    0.3324
   50    638.11   19.1299   15.8959***************    0.7500
   51    685.95   20.5643    8.3392***************    0.7500
   52    692.27   20.7538    2.7836***************    0.3334
   53    703.04   21.0766    2.1454***************    0.3336
   54    725.66   21.7549 7529.1042***************    0.7500
   55    736.93   22.0927  850.2925***************    0.7500
   56    746.10   22.3676    3.3009***************    0.3261
   57    760.42   22.7968  911.4855  76192109.8502    0.7500
   58    766.71   22.9855    0.7758***************    0.3328
   59    786.24   23.5709  726.5002***************    0.7500
   60    797.73   23.9154    0.2180***************    0.3330
   61    813.80   24.3970 9156.5851***************    0.7500
   62    876.84   26.2869  567.6225***************    0.7500
   63    883.24   26.4788   17.4348***************    0.3339
   64   1289.86   38.6691  680.4280***************    0.7500
   65   1362.25   40.8393   15.1486***************    0.3346
   66   1390.64   41.6903   72.6733***************    0.3295
   67   1426.65   42.7700    9.9833***************    0.3366
   68   1514.52   45.4042 5221.9648***************    0.7500
   69   1579.40   47.3493  350.1846***************    0.3321

Unfortunately, it seem that the value of raman intensities are out of the range. Please advise to get the Raman intensities, can we obtain the raman intensities from the output file of ph.x manually instead of dynmat.x

Thanks
Best
Clarence
City University of Hong kong
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