Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744475e+01 -3.744578235744470e+01 1.000000000000000e-04 -4.973799150320701e-14 PASS
Benzene Energy [step 20] -3.744529289078134e+01 -3.744529289078146e+01 1.000000000000000e-04 1.207922650792170e-13 PASS
Benzene Multipoles [step 0] -6.359287337397262e-15 0.000000000000000e+00 1.000000000000000e-10 -6.359287337397262e-15 PASS
Benzene Multipoles [step 20] 9.520492016689671e-04 9.520492016833351e-04 1.000000000000000e-07 -1.436806403021240e-14 PASS
Compare to other inputs