Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405806e+01 -1.351350309405791e+01 3.000000000000000e-13 -1.456612608308205e-13 PASS
Energy [step 103] -1.351351009473393e+01 -1.351351009473370e+01 4.500000000000000e-13 -2.255973186038318e-13 PASS
Multipoles [step 83] 6.218975443783449e-04 6.218975443429170e-04 3.000000000000000e-13 3.542782386900534e-14 PASS
Multipoles [step 103] 3.990050594274713e-03 3.990050594276555e-03 3.000000000000000e-13 -1.842276331487369e-15 PASS
Compare to other inputs