Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405773e+01 -1.351350309405791e+01 3.000000000000000e-13 1.811883976188255e-13 PASS
Energy [step 103] -1.351351009473351e+01 -1.351351009473370e+01 4.500000000000000e-13 1.936228954946273e-13 PASS
Multipoles [step 83] 6.218975444368745e-04 6.218975443429170e-04 3.000000000000000e-13 9.395750236868006e-14 PASS
Multipoles [step 103] 3.990050594397823e-03 3.990050594276555e-03 3.000000000000000e-13 1.212675793116347e-13 PASS
Compare to other inputs