Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766765e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.375077994860476e-14 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | -1.170343729155372e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -1.352776838302056e-15 | PASS |
| Multipoles [step 20] | -1.265864295118034e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | 1.582067810090848e-14 | PASS |
| Forces [step 0] | 8.537673799433465e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.967423673801033e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -1.998401444325282e-14 | PASS |