Table 2.
Convergence 10−4 | Convergence 10−5 | Convergence 10−6 | |||||||
---|---|---|---|---|---|---|---|---|---|
Time step | STF | LTD | ACT | STF | LTD | ACT | STF | LTD | ACT |
1.00fs | 0.46 | −1.6 | 1.18 | 0.46 | 3.1 | 1.34 | 0.45 | 9.0 | 1.72 |
0.50fs | 0.11 | 10.4 | 1.18 | 0.11 | 1.5 | 1.34 | 0.11 | 1.2 | 1.72 |
0.25fs | 0.03 | 2.1 | 1.18 | 0.03 | 0.2 | 1.34 | 0.03 | −0.1 | 1.72 |