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

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2023a_serial

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744460e+01 -3.744578235744467e+01 1.000000000000000e-04 7.105427357601002e-14 PASS
Benzene Energy [step 20] -3.744340809476205e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409574829566e-05 PASS
Benzene Multipoles [step 0] 7.659138334358420e-15 0.000000000000000e+00 1.000000000000000e-10 7.659138334358420e-15 PASS
Benzene Multipoles [step 20] 9.086273215007276e-02 9.086271425086069e-02 1.000000000000000e-06 1.789921207084877e-08 PASS
Maxwell dipole field [step 10] 1.999417102694630e-02 1.999417059584510e-02 1.000000000000000e-08 4.311011964075462e-10 PASS
Compare to other inputs