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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744484e+01 -3.744578235744470e+01 1.000000000000000e-04 -1.421085471520200e-13 PASS
Benzene Energy [step 20] -3.744529289078125e+01 -3.744529289078146e+01 1.000000000000000e-04 2.131628207280301e-13 PASS
Benzene Multipoles [step 0] 3.013331882784653e-15 0.000000000000000e+00 1.000000000000000e-10 3.013331882784653e-15 PASS
Benzene Multipoles [step 20] 9.520492016797202e-04 9.520492016833351e-04 1.000000000000000e-07 -3.614946883501169e-15 PASS
Compare to other inputs