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

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744463e+01 -3.744578235744467e+01 1.000000000000000e-04 4.263256414560601e-14 PASS
Benzene Energy [step 20] -3.744340809476206e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409573408480e-05 PASS
Benzene Multipoles [step 0] 5.966166988836511e-15 0.000000000000000e+00 1.000000000000000e-10 5.966166988836511e-15 PASS
Benzene Multipoles [step 20] 9.086273215007137e-02 9.086271425086069e-02 1.000000000000000e-06 1.789921068306999e-08 PASS
Maxwell dipole field [step 10] 1.999417102694457e-02 1.999417059584510e-02 1.000000000000000e-08 4.310994686229641e-10 PASS
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