Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864127e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196568946216e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934525e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563794947404e-06 | PASS |
| Benzene Multipoles [step 0] | -1.226866768226279e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.226866768226279e-14 | PASS |
| Benzene Multipoles [step 20] | -9.520478524106422e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349249988103450e-09 | PASS |