Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 0] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
| Multipoles [step 20] | -1.265864295118521e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -2.972622148433857e-14 | PASS |
| Forces [step 0] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.967423673801521e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -1.509903313490213e-14 | PASS |