Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405810e+01 -1.351350309405791e+01 3.000000000000000e-13 -1.865174681370263e-13 PASS
Energy [step 103] -1.351351009473386e+01 -1.351351009473370e+01 4.500000000000000e-13 -1.563194018672220e-13 PASS
Multipoles [step 83] 6.218975442041908e-04 6.218975443429170e-04 3.000000000000000e-13 -1.387262700547343e-13 PASS
Multipoles [step 103] 3.990050594172964e-03 3.990050594276555e-03 3.000000000000000e-13 -1.035916144531690e-13 PASS
Compare to other inputs