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Compatible with new Phonopy
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JaGeo committed Oct 25, 2018
1 parent 203aa02 commit a471da0
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1,247 changes: 320 additions & 927 deletions Examples/Methanol_DFPT/OscillatorStrengths.eps

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57 changes: 38 additions & 19 deletions Examples/Methanol_DFPT/OscillatorStrengths.txt
Original file line number Diff line number Diff line change
@@ -1,19 +1,38 @@
Frequency (cm-1) Oscillator Strengths
-2.38087572038 3.14154873353e-05
-1.11259018182 9.23392198671e-06
-0.256793518037 5.64574433224e-07
25.9953253231 0.00407949867402
27.7258005154 0.00368084794011
39.9923595215 0.0209437529883
289.159568389 0.104108017329
1004.46578291 0.117283465525
1051.17083609 0.00119943321035
1129.41656933 9.48353232695e-05
1326.48468732 0.0210578228657
1423.73998698 0.00267764515115
1445.15376735 0.00292439214732
1458.50368969 0.00560246099445
2924.19429545 0.0681504620943
2975.69539723 0.0534985740016
3052.86773892 0.0218914864654
3755.37158058 0.0223091376869
Frequency:
- -2.255882327327757
- -1.0527292644065442
- -0.24211551100512038
- 22.27403314561985
- 24.240861781797353
- 28.680233043074402
- 210.33880838929446
- 751.1125287794447
- 870.9835349261186
- 961.7035122774325
- 1025.8778421348507
- 1044.5895002137122
- 1053.1215102681801
- 1105.1553893662774
- 2096.3134384091654
- 2205.7652558877157
- 2259.1937976226654
- 2732.5597294946156
Oscillator Strengths:
- 2.8477389144300485e-05
- 8.340031857939272e-06
- 5.018425600189727e-07
- 0.0032196744145152954
- 0.0023474658164597552
- 0.011086746034601932
- 0.05839852341935607
- 0.02549908528408665
- 0.0011845400465617922
- 0.03723564284584058
- 0.0197226834536866
- 0.0013310558364080924
- 0.005084191883010717
- 0.026430087925354125
- 0.04317226217678258
- 0.031028436511150764
- 0.013804727361792252
- 0.015097140658216358
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