Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351221987619878e+01 -1.351221987619888e+01 2.640000000000000e-13 1.012523398458143e-13 PASS
Energy [step 103] -1.351222686779596e+01 -1.351222686779602e+01 2.760000000000000e-13 6.217248937900877e-14 PASS
Multipoles [step 83] 5.517961618729663e-04 5.517961618581718e-04 1.400000000000000e-13 1.479448074465095e-14 PASS
Multipoles [step 103] 3.943654428952741e-03 3.943654428896824e-03 1.990000000000000e-13 5.591707652463640e-14 PASS
Compare to other inputs