Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_omp_autotools: [foss2023a-mpi]
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] | -3.744529933934515e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563695471421e-06 | PASS |
| Benzene Multipoles [step 0] | 1.064485585861505e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.064485585861505e-14 | PASS |
| Benzene Multipoles [step 20] | -9.520478523882143e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349272416018010e-09 | PASS |