Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2023a_impi

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
Compare to other inputs