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

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run cmake_foss_2022a_min_mpi

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] -3.744529289078129e+01 -3.744529289078146e+01 1.000000000000000e-04 1.705302565824240e-13 PASS
Benzene Multipoles [step 0] 1.713212767803238e-14 0.000000000000000e+00 1.000000000000000e-10 1.713212767803238e-14 PASS
Benzene Multipoles [step 20] 9.520492016933422e-04 9.520492016833351e-04 1.000000000000000e-07 1.000707763182396e-14 PASS
Compare to other inputs