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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > 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] -3.744529289078136e+01 -3.744529289078146e+01 1.000000000000000e-04 9.947598300641403e-14 PASS
Benzene Multipoles [step 0] 1.174770128540850e-14 0.000000000000000e+00 1.000000000000000e-10 1.174770128540850e-14 PASS
Benzene Multipoles [step 20] 9.520492016894336e-04 9.520492016833351e-04 1.000000000000000e-07 6.098420379796465e-15 PASS
Compare to other inputs