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

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744475e+01 -3.744578235744385e+01 3.740000000000000e-12 -9.023892744153272e-13 PASS
Benzene Energy [step 20] -3.744565216215788e+01 -3.744565216215793e+01 3.740000000000000e-12 5.684341886080801e-14 PASS
Benzene Multipoles [step 0] 1.713212767803238e-14 0.000000000000000e+00 2.540000000000000e-14 1.713212767803238e-14 PASS
Benzene Multipoles [step 20] -2.094497166579580e-02 -2.094497166579790e-02 1.000000000000000e-12 2.099015405931937e-15 PASS
Dipolar field [step 20] 1.022778092351518e-07 1.022778092351507e-07 1.000000000000000e-12 1.058791184067875e-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] 1.401550522265262e-06 1.401550522265254e-06 1.000000000000000e-12 7.623296525288703e-21 PASS
Ex (x= 0.76,y= 0,z=0) [step 400] 9.344493696261750e-05 9.344493696214700e-05 8.479999999999999e-12 4.705030852772407e-16 PASS
By (x= 0,y= 0,z=3.02) [step 400] -2.958134462431600e-07 -2.958134462431620e-07 8.479999999999999e-12 2.011703249728963e-21 PASS
Compare to other inputs