Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864124e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196540524506e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934533e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563866001678e-06 | PASS |
| Benzene Multipoles [step 0] | -1.159657467798307e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.159657467798307e-14 | PASS |
| Benzene Multipoles [step 20] | -9.520478524096864e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349250943936085e-09 | PASS |