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] |
1.230335840531668e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
1.968257847356183e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315481e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
1.915134717478395e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499290e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
9.436895709313831e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536390e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
9.992007221626409e-16 |
PASS |
| Dipole [step 20] |
-6.087147749202614e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-2.331468351712829e-15 |
PASS |