Table 1 Example of lattice vector parametric constraints.
From: Parametrically constrained geometry relaxations for high-throughput materials science
| Â | Cubic | Tetragonal | ||||
|---|---|---|---|---|---|---|
| Â | \(L^{x}\) | \({L}^{y}\) | \({L}^{z}\) | \({L}^{x}\) | \({L}^{y}\) | \({L}^{z}\) |
\({L}_{1}\) | a | 0 | 0 | a | 0 | 0 |
\({L}_{2}\) | 0 | a | 0 | 0 | a | 0 |
\({L}_{3}\) | 0 | 0 | a | 0 | 0 | c |
