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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744461e+01 -3.744578235744470e+01 1.000000000000000e-04 8.526512829121202e-14 PASS
Benzene Energy [step 20] -3.744529289078152e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.394884621840902e-14 PASS
Benzene Multipoles [step 0] -5.418728769161580e-15 0.000000000000000e+00 1.000000000000000e-10 -5.418728769161580e-15 PASS
Benzene Multipoles [step 20] 9.520492016706809e-04 9.520492016833351e-04 1.000000000000000e-07 -1.265426565616457e-14 PASS
Compare to other inputs