Table 6. Peierls Coupling Constants of γ-QAa.
| exp (cm–1) | DFT (cm–1) | symmetry | gP(b) (meV) |
|---|---|---|---|
| 35 | 34.7 | Ag | –2.0 |
| 43 | 44.3 | Ag | –4.8 |
| 48 | 47.0 | Bg | |
| 55 | 56.6 | Ag | |
| 55 | 56.7 | Bg | –3.6 |
| 91 | 94.7 | Bg | |
| 101 | 103.6 | Ag | 1.8 |
| 114.4 | Bg | 2.5 | |
| 140.7 | Ag | 1.9 | |
| 162.7 | Bg | 1.2 |
Only gP values greater than 1.0 meV are reported.