Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894068e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-3.552713678800501e-15 |
PASS |
| Energy [step 5] |
-5.157327347418524e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-5.773159728050814e-15 |
PASS |
| Energy [step 10] |
-5.157327347416899e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
7.993605777301127e-15 |
PASS |
| Energy [step 15] |
-5.157327347416624e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-5.329070518200751e-15 |
PASS |
| Energy [step 20] |
-5.157327347416863e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.154631945610163e-14 |
PASS |
| Dipole [step 1] |
1.661279390419677e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.399201397244192e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208870e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
2.192690473634684e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886652e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
2.220446049250313e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458419e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
3.108624468950438e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676861e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
3.108624468950438e-15 |
PASS |