Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405777e+01 -1.351350309405791e+01 3.000000000000000e-13 1.438849039914203e-13 PASS
Energy [step 103] -1.351351009473358e+01 -1.351351009473370e+01 4.500000000000000e-13 1.207922650792170e-13 PASS
Multipoles [step 83] 6.218975443212334e-04 6.218975443429170e-04 3.000000000000000e-13 -2.168360976884109e-14 PASS
Multipoles [step 103] 3.990050594306464e-03 3.990050594276555e-03 3.000000000000000e-13 2.990923481105412e-14 PASS
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