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

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744475e+01 -3.744578235744467e+01 1.000000000000000e-04 -7.815970093361102e-14 PASS
Benzene Energy [step 20] -3.744340809476205e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409574829566e-05 PASS
Benzene Multipoles [step 0] 1.713212767803238e-14 0.000000000000000e+00 1.000000000000000e-10 1.713212767803238e-14 PASS
Benzene Multipoles [step 20] 9.086273215008141e-02 9.086271425086069e-02 1.000000000000000e-06 1.789922071671057e-08 PASS
Maxwell dipole field [step 10] 1.999417102695705e-02 1.999417059584510e-02 1.000000000000000e-08 4.311119412847564e-10 PASS
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