Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_min_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351221987619895e+01 -1.351221987619888e+01 2.640000000000000e-13 -6.750155989720952e-14 PASS
Energy [step 103] -1.351222686779600e+01 -1.351222686779602e+01 2.760000000000000e-13 2.486899575160351e-14 PASS
Multipoles [step 83] 5.517961619328828e-04 5.517961618581718e-04 1.400000000000000e-13 7.471096224315188e-14 PASS
Multipoles [step 103] 3.943654429046001e-03 3.943654428896824e-03 1.990000000000000e-13 1.491775453166255e-13 PASS
Compare to other inputs