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| For each mode, mode energy was estimated at Γ point, and VEFs are written in % and color-indexed as in the above figure. (Click the figure of animation to see on full screen) |
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mode 61 17.6327 meV 
0% 0% 1% 0% 41% 13% 43% 2% |
mode 62 17.8926 meV 
1% 0% 3% 0% 40% 10% 43% 2% |
mode 63 18.0461 meV 
1% 1% 2% 2% 36% 12% 44% 2% |
mode 64 18.2095 meV 
2% 0% 2% 3% 32% 11% 47% 2% |
mode 65 21.4325 meV 
3% 0% 7% 0% 54% 1% 35% 1% |
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mode 66 21.4544 meV 
2% 0% 6% 0% 51% 1% 39% 1% |
mode 67 21.7488 meV 
2% 0% 6% 0% 49% 1% 41% 1% |
mode 68 22.3939 meV 
2% 0% 8% 0% 71% 0% 18% 0% |
mode 69 22.4967 meV 
2% 0% 6% 0% 70% 0% 21% 0% |
mode 70 22.6337 meV 
3% 0% 8% 0% 72% 0% 17% 0% |
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mode 71 22.9175 meV 
3% 0% 6% 0% 70% 0% 21% 0% |
mode 72 23.224 meV 
2% 0% 5% 1% 51% 1% 39% 1% |
mode 73 38.4091 meV 
0% 0% 0% 0% 0% 10% 0% 90% CH3-NH3 Twist (Torsion) |
mode 74 38.438 meV 
0% 0% 0% 0% 0% 10% 0% 89% CH3-NH3 Twist (Torsion) |
mode 75 38.7192 meV 
0% 0% 0% 0% 0% 10% 1% 89% CH3-NH3 Twist (Torsion) |
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mode 76 38.7556 meV 
0% 0% 0% 0% 0% 10% 1% 89% CH3-NH3 Twist (Torsion) |
mode 77 112.272 meV 
0% 0% 0% 0% 0% 0% 0% 100% CH3-NH3 Bend I |
mode 78 112.2763 meV 
0% 0% 0% 0% 0% 0% 0% 100% CH3-NH3 Bend I |
mode 79 112.7525 meV 
0% 0% 0% 0% 0% 0% 0% 100% CH3-NH3 Bend I |
mode 80 112.8912 meV 
0% 0% 0% 0% 0% 0% 0% 100% CH3-NH3 Bend I |