Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Multipoles [step 0] | -1.105506311493976e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.693489800296119e-15 | PASS |
| Multipoles [step 20] | -1.265864295117674e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | 5.503930644579214e-14 | PASS |
| Forces [step 0] | 8.537673799433421e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.967423673806051e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 3.019806626980426e-14 | PASS |