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

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744483e+01 -3.744578235744470e+01 1.000000000000000e-04 -1.278976924368180e-13 PASS
Benzene Energy [step 20] -3.744529289078134e+01 -3.744529289078146e+01 1.000000000000000e-04 1.207922650792170e-13 PASS
Benzene Multipoles [step 0] 1.174770128540850e-14 0.000000000000000e+00 1.000000000000000e-10 1.174770128540850e-14 PASS
Benzene Multipoles [step 20] -9.520492016639003e-04 -9.520492016606303e-04 1.000000000000000e-07 -3.269953752216281e-15 PASS
Compare to other inputs