Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386770e-01 |
-5.571785867386825e-01 |
3.360000000000000e-14 |
5.440092820663267e-15 |
PASS |
| Energy [step 5] |
-5.157175387707452e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
-2.320366121466577e-14 |
PASS |
| Energy [step 10] |
-5.157175387705774e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
-8.770761894538737e-15 |
PASS |
| Energy [step 15] |
-5.157175387705027e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
2.831068712794149e-14 |
PASS |
| Energy [step 20] |
-5.157175387705454e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
1.054711873393899e-14 |
PASS |
| Dipole [step 1] |
-1.116379022916576e-15 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
-3.784570160920605e-16 |
PASS |
| Dipole [step 5] |
-1.928249235315497e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
2.775557561562891e-16 |
PASS |
| Dipole [step 10] |
-3.545506487499301e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
-1.665334536937735e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536397e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
3.330669073875470e-16 |
PASS |
| Dipole [step 20] |
-6.087147749202615e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-2.442490654175344e-15 |
PASS |