Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864105e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196355783395e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934514e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563681260566e-06 | PASS |
| Benzene Multipoles [step 0] | 6.887881240594797e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 6.887881240594797e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523912149e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349269415380078e-09 | PASS |