Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Multipoles [step 0] | 4.224260340233679e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 4.224260340233679e-15 | PASS |
| Benzene Energy [step 0] | -3.744578880864100e+01 | -3.744578880864112e+01 | 3.740000000000000e-13 | 1.207922650792170e-13 | PASS |
| Benzene Energy [step 20] | -3.744565861329846e+01 | -3.744565861329850e+01 | 1.870000000000000e-12 | 4.263256414560601e-14 | PASS |
| Benzene Multipoles [step 20] | -2.094497201627198e-02 | -2.094497201627904e-02 | 1.670000000000000e-14 | 7.056855100273651e-15 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401555572859919e-06 | 1.401555572859941e-06 | 1.030000000000000e-19 | -2.181109839179823e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344499835368050e-05 | 9.344499835338481e-05 | 1.000000000000000e-14 | 2.956890374911092e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958137034434800e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | -2.572003180303631e-13 | PASS |
| Dipolar field [step 20] | 1.022777796357345e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | -2.959941623168140e-14 | PASS |