Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-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] | -3.744529933934515e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563695471421e-06 | PASS |
| Benzene Multipoles [step 0] | -7.500375237084236e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -7.500375237084236e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478524065368e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349254093543396e-09 | PASS |