Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864100e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196298939976e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934516e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563702576848e-06 | PASS |
| Benzene Multipoles [step 0] | 3.575889770950908e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 3.575889770950908e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523947641e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349265866244266e-09 | PASS |