Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893944e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
6.661338147750939e-15 |
PASS |
| Energy [step 5] |
-5.157327347418356e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
1.554312234475219e-14 |
PASS |
| Energy [step 10] |
-5.157327347417050e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-7.105427357601002e-15 |
PASS |
| Energy [step 15] |
-5.157327347416606e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
1.021405182655144e-14 |
PASS |
| Energy [step 20] |
-5.157327347416775e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.042810365310288e-14 |
PASS |
| Dipole [step 1] |
1.877192188314263e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.615114195138778e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208881e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
1.082467449009528e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886662e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
1.165734175856414e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458445e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
1.387778780781446e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676858e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
3.441691376337985e-15 |
PASS |