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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744503e+01 -3.744578235744470e+01 1.000000000000000e-04 -3.268496584496461e-13 PASS
Benzene Energy [step 20] -3.744529289078140e+01 -3.744529289078146e+01 1.000000000000000e-04 5.684341886080801e-14 PASS
Benzene Multipoles [step 0] -8.678914010852810e-15 0.000000000000000e+00 1.000000000000000e-10 -8.678914010852810e-15 PASS
Benzene Multipoles [step 20] 9.520492016663696e-04 9.520492016833351e-04 1.000000000000000e-07 -1.696548717483592e-14 PASS
Compare to other inputs