Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523196e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -7.460698725481052e-14 | PASS |
| Energy [step 52] | -1.351221767670764e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.030286966852145e-13 | PASS |
| Multipoles [step 0] | -5.456187041420053e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.456187041420053e-16 | PASS |
| Multipoles [step 52] | -3.817238054783491e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | -5.514685930130270e-15 | PASS |