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

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-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] -3.744341454491954e+01 -3.744343182885780e+01 3.000000000000000e-03 1.728393825572994e-05 PASS
Benzene Multipoles [step 0] 6.887881240594797e-15 0.000000000000000e+00 1.000000000000000e-10 6.887881240594797e-15 PASS
Benzene Multipoles [step 20] 9.086273319688208e-02 9.086271425086069e-02 1.000000000000000e-06 1.894602139063117e-08 PASS
Maxwell dipole field [step 10] 1.999417899977442e-02 1.999417059584510e-02 1.000000000000000e-08 8.403929312866820e-09 PASS
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