Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp

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

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864100e+01 -3.744578235744467e+01 1.000000000000000e-04 -6.451196327361686e-06 PASS
Benzene Energy [step 20] -3.744341454491948e+01 -3.744343182885780e+01 3.000000000000000e-03 1.728393831967878e-05 PASS
Benzene Multipoles [step 0] -3.842122168190644e-15 0.000000000000000e+00 1.000000000000000e-10 -3.842122168190644e-15 PASS
Benzene Multipoles [step 20] 9.086273319687302e-02 9.086271425086069e-02 1.000000000000000e-06 1.894601232843574e-08 PASS
Maxwell dipole field [step 10] 1.999417899976424e-02 1.999417059584510e-02 1.000000000000000e-08 8.403919133509463e-09 PASS
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