Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375138265713e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949371511674736e-04 | PASS |
| Projections [step 100] | -3.405135136500122e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297859971568064e-04 | PASS |
| Total current [step 100] | -1.213690344429428e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946295676479e-02 | PASS |
| Number of excited electrons [step 100] | 2.021242673400092e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.757890915109195e-09 | PASS |