Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619899e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -1.136868377216160e-13 | PASS |
| Energy [step 103] | -1.351222686779601e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | 8.881784197001252e-15 | PASS |
| Multipoles [step 83] | 5.517961618661694e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | 3.865852950257764e-14 | PASS |
| Multipoles [step 103] | 3.943654429051835e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | 1.747612471403315e-13 | PASS |