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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_fosscuda-2022a

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744464e+01 -3.744578235744470e+01 1.000000000000000e-04 5.684341886080801e-14 PASS
Benzene Energy [step 20] -3.744529289078125e+01 -3.744529289078146e+01 1.000000000000000e-04 2.131628207280301e-13 PASS
Benzene Multipoles [step 0] 1.546769546122761e-15 0.000000000000000e+00 1.000000000000000e-10 1.546769546122761e-15 PASS
Benzene Multipoles [step 20] 9.520492016775838e-04 9.520492016833351e-04 1.000000000000000e-07 -5.751367264383855e-15 PASS
Compare to other inputs