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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744453e+01 -3.744578235744467e+01 1.000000000000000e-04 1.421085471520200e-13 PASS
Benzene Energy [step 20] -3.744340809476216e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409563460882e-05 PASS
Benzene Multipoles [step 0] -3.557323540162215e-15 0.000000000000000e+00 1.000000000000000e-10 -3.557323540162215e-15 PASS
Benzene Multipoles [step 20] 9.086273215006077e-02 9.086271425086069e-02 1.000000000000000e-06 1.789920008044010e-08 PASS
Maxwell dipole field [step 10] 1.999417102693430e-02 1.999417059584510e-02 1.000000000000000e-08 4.310891921210924e-10 PASS
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