Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867387010e-01 |
-5.571785867386825e-01 |
3.360000000000000e-14 |
-1.854072451124011e-14 |
PASS |
| Energy [step 5] |
-5.157175387707132e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
8.770761894538737e-15 |
PASS |
| Energy [step 10] |
-5.157175387705756e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
-6.994405055138486e-15 |
PASS |
| Energy [step 15] |
-5.157175387705409e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
-9.880984919163893e-15 |
PASS |
| Energy [step 20] |
-5.157175387705729e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
-1.698641227676490e-14 |
PASS |
| Dipole [step 1] |
6.063208285531187e-16 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
1.344242835377634e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315483e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
1.720845688168993e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499297e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
2.775557561562891e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536395e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
4.440892098500626e-16 |
PASS |
| Dipole [step 20] |
-6.087147749202576e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
1.443289932012704e-15 |
PASS |