Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Multipoles [step 0] | -1.788527583451988e-14 | 0.000000000000000e+00 | 2.540000000000000e-14 | -1.788527583451988e-14 | PASS |
| Benzene Energy [step 0] | -3.744578880864125e+01 | -3.744578880864112e+01 | 3.740000000000000e-13 | -1.350031197944190e-13 | PASS |
| Benzene Energy [step 20] | -3.744565861329870e+01 | -3.744565861329850e+01 | 1.870000000000000e-12 | -2.060573933704291e-13 | PASS |
| Benzene Multipoles [step 20] | -2.094497201629425e-02 | -2.094497201627904e-02 | 1.670000000000000e-14 | -1.520658599041269e-14 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401555572859841e-06 | 1.401555572859941e-06 | 1.030000000000000e-19 | -9.973812953919386e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344499835447570e-05 | 9.344499835338481e-05 | 1.000000000000000e-14 | 1.090897120900602e-15 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958137034434750e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | -2.572003130011050e-13 | PASS |
| Dipolar field [step 20] | 1.022777796357313e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | -2.959941939482007e-14 | PASS |