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

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744473e+01 -3.744578235744467e+01 1.000000000000000e-04 -5.684341886080801e-14 PASS
Benzene Energy [step 20] -3.744340809476208e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409571276852e-05 PASS
Benzene Multipoles [step 0] 8.654939110270343e-15 0.000000000000000e+00 1.000000000000000e-10 8.654939110270343e-15 PASS
Benzene Multipoles [step 20] 9.086273215007289e-02 9.086271425086069e-02 1.000000000000000e-06 1.789921219574886e-08 PASS
Maxwell dipole field [step 10] 1.999417102694739e-02 1.999417059584510e-02 1.000000000000000e-08 4.311022823444421e-10 PASS
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