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

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744464e+01 -3.744578235744470e+01 1.000000000000000e-04 5.684341886080801e-14 PASS
Benzene Energy [step 20] -3.744529289078146e+01 -3.744529289078146e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Benzene Multipoles [step 0] -4.539712113817707e-15 0.000000000000000e+00 1.000000000000000e-10 -4.539712113817707e-15 PASS
Benzene Multipoles [step 20] -9.520492016813202e-04 -9.520492016606303e-04 1.000000000000000e-07 -2.068993847775813e-14 PASS
Compare to other inputs