Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386859e-01 |
-5.571785867386825e-01 |
6.260000000000001e-14 |
-3.441691376337985e-15 |
PASS |
| Energy [step 5] |
-5.157175387707115e-01 |
-5.157175387707220e-01 |
5.360000000000000e-14 |
1.054711873393899e-14 |
PASS |
| Energy [step 10] |
-5.157175387705694e-01 |
-5.157175387705686e-01 |
4.190000000000000e-14 |
-7.771561172376096e-16 |
PASS |
| Energy [step 15] |
-5.157175387705427e-01 |
-5.157175387705311e-01 |
4.380000000000000e-14 |
-1.165734175856414e-14 |
PASS |
| Energy [step 20] |
-5.157175387705480e-01 |
-5.157175387705559e-01 |
4.870000000000000e-14 |
7.882583474838611e-15 |
PASS |
| Dipole [step 1] |
1.451001367398352e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.188923374222867e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315474e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
2.609024107869118e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499274e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
2.609024107869118e-15 |
PASS |
| Dipole [step 15] |
-4.859711921536380e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
1.998401444325282e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202564e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
2.664535259100376e-15 |
PASS |