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

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864105e+01 -3.744578235744467e+01 1.000000000000000e-04 -6.451196384205105e-06 PASS
Benzene Energy [step 20] -3.744341454491951e+01 -3.744343182885780e+01 3.000000000000000e-03 1.728393829125707e-05 PASS
Benzene Multipoles [step 0] 6.887881240594797e-15 0.000000000000000e+00 1.000000000000000e-10 6.887881240594797e-15 PASS
Benzene Multipoles [step 20] 9.086273319688172e-02 9.086271425086069e-02 1.000000000000000e-06 1.894602102980869e-08 PASS
Maxwell dipole field [step 10] 1.999417899977398e-02 1.999417059584510e-02 1.000000000000000e-08 8.403928879185951e-09 PASS
Compare to other inputs