Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766759e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 20] | -1.060637200596970e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 2.849322401556487e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 2.261338912754344e-15 | PASS |
| Multipoles [step 20] | -1.265864295118738e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -5.143108161576038e-14 | PASS |
| Forces [step 0] | 8.537673799432755e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -5.995204332975845e-15 | PASS |
| Forces [step 20] | 7.967423673799567e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -3.463895836830488e-14 | PASS |