Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523192e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -3.907985046680551e-14 | PASS |
| Energy [step 52] | -1.351221767670772e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.811883976188255e-13 | PASS |
| Multipoles [step 0] | -4.531453812514264e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.531453812514264e-16 | PASS |
| Multipoles [step 52] | -3.817238054825424e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -5.202782649149640e-14 | PASS |