Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867387126e-01 |
-5.571785867386825e-01 |
3.360000000000000e-14 |
-3.008704396734174e-14 |
PASS |
| Energy [step 5] |
-5.157175387707337e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
-1.165734175856414e-14 |
PASS |
| Energy [step 10] |
-5.157175387705605e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
8.104628079763643e-15 |
PASS |
| Energy [step 15] |
-5.157175387705356e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
-4.551914400963142e-15 |
PASS |
| Energy [step 20] |
-5.157175387705534e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
2.553512956637860e-15 |
PASS |
| Dipole [step 1] |
-8.220480723133148e-16 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
-8.412606548879968e-17 |
PASS |
| Dipole [step 5] |
-1.928249235315492e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
8.049116928532385e-16 |
PASS |
| Dipole [step 10] |
-3.545506487499282e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
1.776356839400250e-15 |
PASS |
| Dipole [step 15] |
-4.859711921536386e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
1.387778780781446e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202578e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
1.221245327087672e-15 |
PASS |