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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > 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] -3.744529289078147e+01 -3.744529289078146e+01 1.000000000000000e-04 -1.421085471520200e-14 PASS
Benzene Multipoles [step 0] -4.539712113817707e-15 0.000000000000000e+00 1.000000000000000e-10 -4.539712113817707e-15 PASS
Benzene Multipoles [step 20] 9.520492016716617e-04 9.520492016833351e-04 1.000000000000000e-07 -1.167338795071693e-14 PASS
Compare to other inputs