Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386762e-01 |
-5.571785867386825e-01 |
6.260000000000001e-14 |
6.328271240363392e-15 |
PASS |
| Energy [step 5] |
-5.157175387707221e-01 |
-5.157175387707220e-01 |
5.360000000000000e-14 |
-1.110223024625157e-16 |
PASS |
| Energy [step 10] |
-5.157175387705756e-01 |
-5.157175387705686e-01 |
4.190000000000000e-14 |
-6.994405055138486e-15 |
PASS |
| Energy [step 15] |
-5.157175387705383e-01 |
-5.157175387705311e-01 |
4.380000000000000e-14 |
-7.216449660063518e-15 |
PASS |
| Energy [step 20] |
-5.157175387705658e-01 |
-5.157175387705559e-01 |
4.870000000000000e-14 |
-9.880984919163893e-15 |
PASS |
| Dipole [step 1] |
8.723022561766113e-16 |
-7.379220068245151e-16 |
2.960000000000000e-15 |
1.610224263001126e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315486e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
1.387778780781446e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499276e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
2.386979502944087e-15 |
PASS |
| Dipole [step 15] |
-4.859711921536387e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
1.332267629550188e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202592e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-1.110223024625157e-16 |
PASS |