Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893926e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
8.437694987151190e-15 |
PASS |
| Energy [step 5] |
-5.157327347418400e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
1.110223024625157e-14 |
PASS |
| Energy [step 10] |
-5.157327347416997e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-1.776356839400250e-15 |
PASS |
| Energy [step 15] |
-5.157327347416615e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
9.325873406851315e-15 |
PASS |
| Energy [step 20] |
-5.157327347416890e-01 |
-5.157327347416979e-01 |
2.250000000000000e-14 |
8.881784197001252e-15 |
PASS |
| Dipole [step 1] |
2.250250766971940e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.988172773796455e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208872e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
2.026157019940911e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886662e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
1.221245327087672e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458431e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
2.831068712794149e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676885e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
6.661338147750939e-16 |
PASS |