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

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744480e+01 -3.744578235744467e+01 1.000000000000000e-04 -1.278976924368180e-13 PASS
Benzene Energy [step 20] -3.744340809476212e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409567724138e-05 PASS
Benzene Multipoles [step 0] 9.350211227161867e-16 0.000000000000000e+00 1.000000000000000e-10 9.350211227161867e-16 PASS
Benzene Multipoles [step 20] 9.086273215006420e-02 9.086271425086069e-02 1.000000000000000e-06 1.789920350825369e-08 PASS
Maxwell dipole field [step 10] 1.999417102693948e-02 1.999417059584510e-02 1.000000000000000e-08 4.310943720053917e-10 PASS
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