Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss-cmake-zen4: [foss2023a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351221987619889e+01 -1.351221987619888e+01 3.010000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 103] -1.351222686779592e+01 -1.351222686779602e+01 3.420000000000000e-13 9.592326932761353e-14 PASS
Multipoles [step 83] 5.517961617450623e-04 5.517961618581718e-04 1.400000000000000e-13 -1.131095000647675e-13 PASS
Multipoles [step 103] 3.943654428880713e-03 3.943654428896824e-03 1.990000000000000e-13 -1.611124428313460e-14 PASS
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