Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619892e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -4.085620730620576e-14 | PASS |
| Energy [step 103] | -1.351222686779614e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -1.190159082398168e-13 | PASS |
| Multipoles [step 83] | 5.517961619391203e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 8.094848576167823e-14 | PASS |
| Multipoles [step 103] | 3.943654428785709e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.111151101684804e-13 | PASS |