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

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744492e+01 -3.744578235744467e+01 1.000000000000000e-04 -2.486899575160351e-13 PASS
Benzene Energy [step 20] -3.744340809476223e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409556355455e-05 PASS
Benzene Multipoles [step 0] -1.438494034947979e-14 0.000000000000000e+00 1.000000000000000e-10 -1.438494034947979e-14 PASS
Benzene Multipoles [step 20] 9.086273215004972e-02 9.086271425086069e-02 1.000000000000000e-06 1.789918903372101e-08 PASS
Maxwell dipole field [step 10] 1.999417102692346e-02 1.999417059584510e-02 1.000000000000000e-08 4.310783570382615e-10 PASS
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