Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 >
Run foss-min-parallel-zen4: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893846e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 1.865174681370263e-14 | PASS |
| Energy [step 5] | -5.157327347418356e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.110223024625157e-14 | PASS |
| Energy [step 10] | -5.157327347416926e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 5.329070518200751e-15 | PASS |
| Energy [step 15] | -5.157327347416757e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -1.865174681370263e-14 | PASS |
| Energy [step 20] | -5.157327347416917e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 6.217248937900877e-15 | PASS |
| Dipole [step 1] | -3.952689738018211e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -3.214767731193696e-15 | PASS |
| Dipole [step 5] | -1.928247888208932e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -3.969047313034935e-15 | PASS |
| Dipole [step 10] | -3.545495747886714e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -4.052314039881821e-15 | PASS |
| Dipole [step 15] | -4.859689858458502e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -5.162537064506978e-15 | PASS |
| Dipole [step 20] | -6.087120870676929e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -3.663735981263017e-15 | PASS |