Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744478e+01 | -3.744578235744385e+01 | 5.100000000000000e-08 | -9.379164112033322e-13 | PASS |
| Benzene Energy [step 20] | -3.744565212577481e+01 | -3.744565212577614e+01 | 5.100000000000000e-08 | 1.328714915871387e-12 | PASS |
| Benzene Multipoles [step 0] | 1.135836270543870e-14 | 0.000000000000000e+00 | 2.540000000000000e-14 | 1.135836270543870e-14 | PASS |
| Benzene Multipoles [step 20] | -2.094508891116313e-02 | -2.094497332627963e-02 | 9.000000000000000e-07 | -1.155848835046602e-07 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 9.999999999999999e-21 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401527202555318e-06 | 1.401527129922635e-06 | 6.000000000000000e-11 | 7.263268305080168e-14 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344667517733339e-05 | 9.344667210574500e-05 | 1.000000000000000e-07 | 3.071588393788877e-12 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958268626920790e-07 | -2.958269117779080e-07 | 2.000000000000000e-10 | 4.908582896750129e-14 | PASS |
| Benzene Dipole Ex Field from Maxwell [step 13] | 8.132646076402656e-06 | 8.132646076402673e-06 | 1.000000000000000e-10 | -1.694065894508601e-20 | PASS |