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

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss-omp-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864117e+01 -3.744578235744467e+01 1.000000000000000e-04 -6.451196497891942e-06 PASS
Benzene Energy [step 20] -3.744341454491948e+01 -3.744343182885780e+01 3.000000000000000e-03 1.728393831967878e-05 PASS
Benzene Multipoles [step 0] 1.208334989356303e-14 0.000000000000000e+00 1.000000000000000e-10 1.208334989356303e-14 PASS
Benzene Multipoles [step 20] 9.086273319688765e-02 9.086271425086069e-02 1.000000000000000e-06 1.894602695562408e-08 PASS
Maxwell dipole field [step 10] 1.999417899978164e-02 1.999417059584510e-02 1.000000000000000e-08 8.403936532785927e-09 PASS
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