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] | -3.744529289078125e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | 2.131628207280301e-13 | PASS |
Benzene Multipoles [step 0] | 3.013331882784653e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 3.013331882784653e-15 | PASS |
Benzene Multipoles [step 20] | 9.520492016797202e-04 | 9.520492016833351e-04 | 1.000000000000000e-07 | -3.614946883501169e-15 | PASS |