Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375138888943e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949372134905092e-04 | PASS |
| Projections [step 100] | -3.405135134756285e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297861715404806e-04 | PASS |
| Total current [step 100] | -1.213690050419016e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946001666067e-02 | PASS |
| Number of excited electrons [step 100] | 2.021243786989868e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.769026812868668e-09 | PASS |