Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864117e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196469470233e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934512e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563659944284e-06 | PASS |
| Benzene Multipoles [step 0] | 1.208334989356303e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.208334989356303e-14 | PASS |
| Benzene Multipoles [step 20] | -9.520478523884061e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349272224222646e-09 | PASS |