Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Benzene Energy [step 0] | -3.744578235744480e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -9.947598300641403e-14 | PASS |
Benzene Energy [step 20] | -3.744529289078130e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | 1.563194018672220e-13 | PASS |
Benzene Multipoles [step 0] | 9.350211227161867e-16 | 0.000000000000000e+00 | 1.000000000000000e-10 | 9.350211227161867e-16 | PASS |
Benzene Multipoles [step 20] | -9.520492016744253e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | -1.379495476183656e-14 | PASS |