Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run foss-2022a_opt

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744470e+01 -3.744578235744385e+01 3.740000000000000e-12 -8.526512829121202e-13 PASS
Benzene Energy [step 20] -3.744565218087151e+01 -3.744565218087023e+01 3.740000000000000e-12 -1.271871497010579e-12 PASS
Benzene Multipoles [step 0] 9.726179926596289e-15 0.000000000000000e+00 2.540000000000000e-14 9.726179926596289e-15 PASS
Benzene Multipoles [step 20] -2.094351791076934e-02 -2.094351791077764e-02 1.000000000000000e-12 8.302386556024999e-15 PASS
Tot. Maxwell energy [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-12 0.000000000000000e+00 PASS
Tot. Maxwell energy [step 300] 1.401398408996583e-06 1.401398408996486e-06 1.000000000000000e-12 9.634999775017666e-20 PASS
Ex (x= 0.76,y= 0,z=0) [step 400] 9.344663817904250e-05 9.344663817885250e-05 8.479999999999999e-12 1.900064307280847e-16 PASS
By (x= 0,y= 0,z=3.02) [step 400] -2.955589798195410e-07 -2.955589798195430e-07 8.479999999999999e-12 2.011703249728963e-21 PASS
Compare to other inputs