Table 2. Number of parameters for the different models.
Cijk and Dijkl represent the third- and fourth-order anharmonic ADPs. The models are defined in the text.
| Model A | Model B | Model Cr | Model C | Model Dr | |
|---|---|---|---|---|---|
| x 0, y 0, z 0 | 13 | 13 | 13 | 13 | 13 |
| U ij | 26 | 26 | 26 | 26 | 26 |
| Cijk | 0 | 0 | 0 | ||
| Dijkl | 33 | ||||
| Modulation of x, y, z | 100 | 100 | 100 | 100 | 100 |
| Modulation of U ij | 84 | 84 | 84 | 84 | |
| Modulation of Cijk | 132 | 244 | 132 | ||
| Scale | 1 | 1 | 1 | 1 | 1 |
| Total | 140 | 224 | 356 | 468 | 389 |