Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867387001e-01 |
-5.571785867386825e-01 |
3.360000000000000e-14 |
-1.765254609153999e-14 |
PASS |
| Energy [step 5] |
-5.157175387707283e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
-6.328271240363392e-15 |
PASS |
| Energy [step 10] |
-5.157175387705702e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
-1.665334536937735e-15 |
PASS |
| Energy [step 15] |
-5.157175387705196e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
1.143529715363911e-14 |
PASS |
| Energy [step 20] |
-5.157175387705436e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
1.232347557333924e-14 |
PASS |
| Dipole [step 1] |
-1.132254659903234e-15 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
-3.943326530787187e-16 |
PASS |
| Dipole [step 5] |
-1.928249235315502e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
-1.665334536937735e-16 |
PASS |
| Dipole [step 10] |
-3.545506487499302e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
-2.220446049250313e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536381e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
1.887379141862766e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202603e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-1.221245327087672e-15 |
PASS |