Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864125e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196554735361e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934540e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563937055951e-06 | PASS |
| Benzene Multipoles [step 0] | -1.788527583451988e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.788527583451988e-14 | PASS |
| Benzene Multipoles [step 20] | -9.520478524172958e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349243334463138e-09 | PASS |