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

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744486e+01 -3.744578235744467e+01 1.000000000000000e-04 -1.847411112976260e-13 PASS
Benzene Energy [step 20] -3.744340809476206e+01 -3.744343182885780e+01 3.000000000000000e-03 2.373409573408480e-05 PASS
Benzene Multipoles [step 0] 4.211805497577813e-15 0.000000000000000e+00 1.000000000000000e-10 4.211805497577813e-15 PASS
Benzene Multipoles [step 20] 9.086273215006983e-02 9.086271425086069e-02 1.000000000000000e-06 1.789920914263554e-08 PASS
Maxwell dipole field [step 10] 1.999417102694440e-02 1.999417059584510e-02 1.000000000000000e-08 4.310992986200635e-10 PASS
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