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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744478e+01 -3.744578235744470e+01 1.000000000000000e-04 -8.526512829121202e-14 PASS
Benzene Energy [step 20] -3.744529289078123e+01 -3.744529289078146e+01 1.000000000000000e-04 2.344791028008331e-13 PASS
Benzene Multipoles [step 0] 1.135836270543870e-14 0.000000000000000e+00 1.000000000000000e-10 1.135836270543870e-14 PASS
Benzene Multipoles [step 20] 9.520492016874400e-04 9.520492016833351e-04 1.000000000000000e-07 4.104897845247368e-15 PASS
Compare to other inputs