Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
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] | -3.744529933934511e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563652838857e-06 | PASS |
| Benzene Multipoles [step 0] | 6.162156404707194e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 6.162156404707194e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523934050e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349267225291689e-09 | PASS |