Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Benzene Energy [step 0] | -3.744578235744484e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -1.421085471520200e-13 | PASS |
Benzene Energy [step 20] | -3.744529289078127e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | 1.847411112976260e-13 | PASS |
Benzene Multipoles [step 0] | 3.013331882784653e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 3.013331882784653e-15 | PASS |
Benzene Multipoles [step 20] | -9.520492016722809e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | -1.165061970509473e-14 | PASS |