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

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744503e+01 -3.744578235744470e+01 1.000000000000000e-04 -3.268496584496461e-13 PASS
Benzene Energy [step 20] -3.744529289078142e+01 -3.744529289078146e+01 1.000000000000000e-04 4.263256414560601e-14 PASS
Benzene Multipoles [step 0] -8.678914010852810e-15 0.000000000000000e+00 1.000000000000000e-10 -8.678914010852810e-15 PASS
Benzene Multipoles [step 20] -9.520492016840871e-04 -9.520492016606303e-04 1.000000000000000e-07 -2.345682242194114e-14 PASS
Compare to other inputs