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

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_ppc_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Multipoles [step 0] -7.174657253009115e-15 0.000000000000000e+00 2.540000000000000e-14 -7.174657253009115e-15 PASS
Benzene Energy [step 0] -3.744578880864115e+01 -3.744578880864112e+01 3.740000000000000e-13 -2.842170943040401e-14 PASS
Benzene Energy [step 20] -3.744565861329865e+01 -3.744565861329850e+01 1.870000000000000e-12 -1.563194018672220e-13 PASS
Benzene Multipoles [step 20] -2.094497201628260e-02 -2.094497201627490e-02 1.360000000000000e-14 -7.695233339433116e-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] 1.401555572859948e-06 1.401555572859944e-06 8.539999999999999e-20 4.235164736271502e-21 PASS
Ex (x= 0.76,y= 0,z=0) [step 400] 9.344499835197469e-05 9.344499835338481e-05 1.000000000000000e-14 -1.410113345534647e-15 PASS
By (x= 0,y= 0,z=3.02) [step 400] -2.958137034434890e-07 -2.958134462431620e-07 8.479999999999999e-12 -2.572003270300882e-13 PASS
Dipolar field [step 20] 1.022777796357302e-07 1.022778092351507e-07 1.000000000000000e-12 -2.959942049331592e-14 PASS
Compare to other inputs