Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405810e+01 -1.351350309405791e+01 3.000000000000000e-13 -1.936228954946273e-13 PASS
Energy [step 103] -1.351351009473378e+01 -1.351351009473370e+01 4.500000000000000e-13 -8.171241461241152e-14 PASS
Multipoles [step 83] 6.218975444481741e-04 6.218975443429170e-04 3.000000000000000e-13 1.052570574103240e-13 PASS
Multipoles [step 103] 3.990050594386532e-03 3.990050594276555e-03 3.000000000000000e-13 1.099771315682396e-13 PASS
Compare to other inputs