Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619882e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 6.394884621840902e-14 | PASS |
| Energy [step 103] | -1.351222686779603e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 83] | 5.517961618268059e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | -3.136596885000564e-14 | PASS |
| Multipoles [step 103] | 3.943654428755892e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.409315372735698e-13 | PASS |