Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864101e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196313150831e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934517e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563709682276e-06 | PASS |
| Benzene Multipoles [step 0] | 6.374606905141410e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 6.374606905141410e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523938394e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349266790960299e-09 | PASS |