Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893908e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
1.243449787580175e-14 |
PASS |
| Energy [step 5] |
-5.157327347418427e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
3.996802888650564e-15 |
PASS |
| Energy [step 10] |
-5.157327347416970e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
8.881784197001252e-16 |
PASS |
| Energy [step 15] |
-5.157327347416588e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-1.776356839400250e-15 |
PASS |
| Energy [step 20] |
-5.157327347416872e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.065814103640150e-14 |
PASS |
| Dipole [step 1] |
-2.070589122523617e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-1.332667115699102e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208912e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-2.053912595556540e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886691e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-1.720845688168993e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458472e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-2.164934898019055e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676934e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-4.218847493575595e-15 |
PASS |