Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386841e-01 |
-5.571785867386825e-01 |
6.260000000000001e-14 |
-1.665334536937735e-15 |
PASS |
| Energy [step 5] |
-5.157175387707177e-01 |
-5.157175387707220e-01 |
5.360000000000000e-14 |
4.329869796038111e-15 |
PASS |
| Energy [step 10] |
-5.157175387705845e-01 |
-5.157175387705686e-01 |
4.190000000000000e-14 |
-1.587618925213974e-14 |
PASS |
| Energy [step 15] |
-5.157175387705241e-01 |
-5.157175387705311e-01 |
4.380000000000000e-14 |
6.994405055138486e-15 |
PASS |
| Energy [step 20] |
-5.157175387705543e-01 |
-5.157175387705559e-01 |
4.870000000000000e-14 |
1.665334536937735e-15 |
PASS |
| Dipole [step 1] |
1.096669935039211e-15 |
-7.379220068245151e-16 |
2.960000000000000e-15 |
1.834591941863726e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315477e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
2.303712776097200e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499292e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
7.771561172376096e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536414e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
-1.387778780781446e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202583e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
7.771561172376096e-16 |
PASS |