Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Benzene Energy [step 0] | -3.744578235744480e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -9.521272659185342e-13 | PASS |
Benzene Energy [step 20] | -3.744565216215785e+01 | -3.744565216215793e+01 | 3.740000000000000e-12 | 8.526512829121202e-14 | PASS |
Benzene Multipoles [step 0] | 6.425273356100975e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 6.425273356100975e-15 | PASS |
Benzene Multipoles [step 20] | -2.094497166580517e-02 | -2.094497166579790e-02 | 1.000000000000000e-12 | -7.275430258246729e-15 | PASS |
Dipolar field [step 20] | 1.022778092351529e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | 2.183756817139993e-21 | PASS |
Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
Tot. Maxwell energy [step 300] | 1.401550522265290e-06 | 1.401550522265254e-06 | 1.000000000000000e-12 | 3.536362554786704e-20 | PASS |
Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344493696339401e-05 | 9.344493696214700e-05 | 8.479999999999999e-12 | 1.247008681211359e-15 | PASS |
By (x= 0,y= 0,z=3.02) [step 400] | -2.958134462431580e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | 3.970466940254533e-21 | PASS |