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@@ -10,53 +10,55 @@
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let B2 = [B#sub[2]];
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let E1 = [E#sub[1]];
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let E2 = [E#sub[2]];
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table(columns: 27, align: center + horizon, inset: (x: 3pt, y: 5pt),
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[*Number of Mode*],
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table(columns: 28, align: center + horizon, inset: (x: 3pt, y: 5pt),
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m2[*Number of Mode*],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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[1], m2[2], [3], m2[4], [5], [6], [7], [8], m3[9], [10], [11], [12], m2[13], [14], m2[15], m3[16], [17], [18],
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[*Vibration Direction*],
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m2[*Vibration Direction*],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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[x], m2[y], [x], m2[y], [x], [y], m2[z], m3[z], [x], [y], [x], m2[y], [x], m2[y], m3[z], m2[z],
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[*Representation in Group C#sub[6v]*],
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m(3, E2), m(3, E2), m(2, E1), B1, B1, m(3, A1), m(2, E1), m(3, E2), m(3, E2), m(3, A1), B1, B1,
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[*Representation in Group C#sub[2v]*],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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A2, m(2, A1), A2, m(2, A1), B2, B1, B1, B1, m(3, A1), B2, B1, A2, m(2, A1), A2, m(2, A1), m(3, A1), B1, B1,
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[*Raman-active or Not*],
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m(8)[Raman-active], m2[Raman-inactive], m(14)[Raman-active], m2[Raman-inactive],
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[*Scattering in Polarization #linebreak() (non-zero Raman #linebreak() tenser components)*],
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// E2 E2 E1 2B1 A1
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[xy], [xx], [yy], [xy], [xx], [yy], [xz], [yz], m2[-], [xx], [yy], [zz],
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// E1 E2 E2 A1 2B1
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[xz], [yz], [xy], [xx], [yy], [xy], [xx], [yy], [xx], [yy], [zz], m2[-],
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[*Raman Intensity (a.u.)*],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
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[*Visible in Common #linebreak() Raman Experiment or Not*],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m(8)[Visible], m2[-], m3[Visible], m2[Invisible], m3[Visible], m(5)[Invisible], [Visible], m2[-],
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[*Wavenumber #linebreak() (Simulation) (cm#super[-1])*],
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// E2 E2 E1 2B1 A1
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m3[190.51], m3[197.84], m2[257.35], [389.96], [397.49], m3[591.90],
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// E1 E2 E2 A1 2B1
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m2[746.91], m3[756.25], m3[764.33], m3[812.87], [885.68], [894.13],
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[*Wavenumber #linebreak() (Experiment) (cm#super[-1])*],
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// E2 E2 E1 2B1 A1
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m3[195.5], m3[203.3], m2[269.7], m2[-], m3[609.5],
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// E1 E2 E2 A1 2B1
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m2[-], m3[776], m(5)[-], [839], m2[-],
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[*FWHM #linebreak() (Simulation) (cm#super[-1])*],
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// E2 E2 E1 2B1 A1
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m3[0.08], m3[0.09], m2[0.08], m2[-], m3[0.61],
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// E1 E2 E2 A1 2B1
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m2[3.97], m3[4.62], m3[4.01], m3[0.89], m2[-],
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// TODO: 怎么选取用于比较的合适的实验?
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[*FWHM #linebreak() (Experiment, zxxz) (cm#super[-1])*],
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// E2 E2 E1 2B1 A1
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m3[2.61], m3[2.09], m2[1.98], m2[-], m3[2.64],
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// E1 E2 E2 A1 2B1
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m2[-], m3[3.27], m3[-], m3[-], m2[-],
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[*Electrical Polarity*],
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table.cell(rowspan: 2)[*Representation*],
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[C#sub[6v]], m(3, E2), m(3, E2), m(2, E1), B1, B1, m(3, A1), m(2, E1), m(3, E2), m(3, E2), m(3, A1), B1, B1,
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[C#sub[2v]],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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A2, m(2, A1), A2, m(2, A1), B2, B1, B1, B1, m(3, A1), B2, B1, A2, m(2, A1), A2, m(2, A1), m(3, A1), B1, B1,
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table.cell(rowspan: 4)[*Raman Tensor*],
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[Non-zero components],
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// E2 E2 E1 2B1 A1
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[xy], [xx], [yy], [xy], [xx], [yy], [xz], [yz], m2[None], [xx], [yy], [zz],
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// E1 E2 E2 A1 2B1
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[xz], [yz], [xy], [xx], [yy], [xy], [xx], [yy], [xx], [yy], [zz], m2[None],
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[Analysis result (a.u.)],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
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[Calculation result (a.u.)],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
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[Experiment result (a.u.)],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
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table.cell(rowspan: 2)[*Frequency* (cm#super[-1])],
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[Simulation],
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// E2 E2 E1 2B1 A1
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m3[190.51], m3[197.84], m2[257.35], [389.96], [397.49], m3[591.90],
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// E1 E2 E2 A1 2B1
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m2[746.91], m3[756.25], m3[764.33], m3[812.87], [885.68], [894.13],
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[Experiment],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m3[195.5], m3[203.3], m2[269.7], m2[-], m3[609.5], m2[-], m3[776], m(5)[-], [839], m2[-],
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table.cell(rowspan: 2)[*FWHM* (cm#super[-1])],
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[Simulation],
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// E2 E2 E1 2B1 A1
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m3[0.08], m3[0.09], m2[0.08], m2[-], m3[0.61],
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// E1 E2 E2 A1 2B1
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m2[3.97], m3[4.62], m3[4.01], m3[0.89], m2[-],
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// TODO: 怎么选取用于比较的合适的实验?
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[Experiment, zxxz],
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// E2 E2 E1 2B1 A1
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m3[2.61], m3[2.09], m2[1.98], m2[-], m3[2.64],
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// E1 E2 E2 A1 2B1
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m2[-], m3[3.27], m3[-], m3[-], m2[-],
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m2[*Polarity*],
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// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
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m(6)[None], m2[Weak], m2[None], m(5)[Weak], m(6)[None], m3[Weak], m2[None],
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)},
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