Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894184e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-1.509903313490213e-14 |
PASS |
| Energy [step 5] |
-5.157327347418684e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-2.176037128265307e-14 |
PASS |
| Energy [step 10] |
-5.157327347417086e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-1.065814103640150e-14 |
PASS |
| Energy [step 15] |
-5.157327347416508e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
6.217248937900877e-15 |
PASS |
| Energy [step 20] |
-5.157327347417006e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-2.664535259100376e-15 |
PASS |
| Dipole [step 1] |
2.072153240011490e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.810075246836005e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208878e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
1.415534356397075e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886656e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
1.831867990631508e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458447e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
3.330669073875470e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676864e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
2.775557561562891e-15 |
PASS |