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

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744492e+01 -3.744578235744385e+01 3.740000000000000e-12 -1.072919530997751e-12 PASS
Benzene Energy [step 20] -3.744565216215793e+01 -3.744565216215793e+01 3.740000000000000e-12 7.105427357601002e-15 PASS
Benzene Multipoles [step 0] -1.438494034947979e-14 0.000000000000000e+00 2.540000000000000e-14 -1.438494034947979e-14 PASS
Benzene Multipoles [step 20] -2.094497166582606e-02 -2.094497166579790e-02 1.000000000000000e-12 -2.815803146205553e-14 PASS
Dipolar field [step 20] 1.022778092351511e-07 1.022778092351507e-07 1.000000000000000e-12 3.308722450212111e-22 PASS
Tot. Maxwell energy [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-12 0.000000000000000e+00 PASS
Tot. Maxwell energy [step 300] 1.401550522265250e-06 1.401550522265254e-06 1.000000000000000e-12 -4.023406499457927e-21 PASS
Ex (x= 0.76,y= 0,z=0) [step 400] 9.344493696240920e-05 9.344493696214700e-05 8.479999999999999e-12 2.622007428884632e-16 PASS
By (x= 0,y= 0,z=3.02) [step 400] -2.958134462431420e-07 -2.958134462431620e-07 8.479999999999999e-12 2.001115337888285e-20 PASS
Compare to other inputs