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

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run foss_cmake: [foss2022a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864103e+01 -3.744578235744467e+01 1.000000000000000e-04 -6.451196355783395e-06 PASS
Benzene Energy [step 20] -3.744341454491952e+01 -3.744343182885780e+01 3.000000000000000e-03 1.728393827704622e-05 PASS
Benzene Multipoles [step 0] 9.686566873569099e-15 0.000000000000000e+00 1.000000000000000e-10 9.686566873569099e-15 PASS
Benzene Multipoles [step 20] 9.086273319688484e-02 9.086271425086069e-02 1.000000000000000e-06 1.894602415231095e-08 PASS
Maxwell dipole field [step 10] 1.999417899977686e-02 1.999417059584510e-02 1.000000000000000e-08 8.403931758826921e-09 PASS
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