Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405804e+01 | -1.351350309405791e+01 | 3.000000000000000e-13 | -1.278976924368180e-13 | PASS |
| Energy [step 103] | -1.351351009473382e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | -1.243449787580175e-13 | PASS |
| Multipoles [step 83] | 6.218975442960681e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | -4.684891797418489e-14 | PASS |
| Multipoles [step 103] | 3.990050594256210e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | -2.034483692625599e-14 | PASS |