Respected Sir/Mam, 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 banoamree...@gmail.com
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