Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 1.824339507586203e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.236356018784060e-15 | PASS |
| Multipoles [step 20] | -1.265864295118311e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -8.743006318923108e-15 | PASS |
| Forces [step 0] | 8.537673799433376e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.967423673800411e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.620126338115369e-14 | PASS |