Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351221987619875e+01 -1.351221987619888e+01 2.640000000000000e-13 1.314504061156185e-13 PASS
Energy [step 103] -1.351222686779594e+01 -1.351222686779602e+01 2.760000000000000e-13 7.815970093361102e-14 PASS
Multipoles [step 83] 5.517961618063907e-04 5.517961618581718e-04 1.400000000000000e-13 -5.178117049725595e-14 PASS
Multipoles [step 103] 3.943654428719201e-03 3.943654428896824e-03 1.990000000000000e-13 -1.776226735139552e-13 PASS
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