Input 12-tddft-currents-to-maxwell.05-benzene-extsource-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 -3.744578235744470e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Benzene Energy [step 20] -3.744529289078129e+01 -3.744529289078146e+01 1.000000000000000e-04 1.705302565824240e-13 PASS
Benzene Multipoles [step 0] 9.726179926596289e-15 0.000000000000000e+00 1.000000000000000e-10 9.726179926596289e-15 PASS
Benzene Multipoles [step 20] 9.520492016866890e-04 9.520492016833351e-04 1.000000000000000e-07 3.353871000366659e-15 PASS
Compare to other inputs