Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_intel_mpi_omp: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185352150650525e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.322548681681468e-09 | PASS |
| Projections [step 100] | 9.402375127630920e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949360876881689e-04 | PASS |
| Projections [step 100] | -3.405135164390013e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297832081677112e-04 | PASS |
| Total current [step 100] | -1.213679842858533e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439935794105584e-02 | PASS |