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

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864098e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196284729122e-06 PASS
Benzene Energy [step 20] -3.744529933934516e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563702576848e-06 PASS
Benzene Multipoles [step 0] 8.206511650295920e-15 0.000000000000000e+00 1.000000000000000e-10 8.206511650295920e-15 PASS
Benzene Multipoles [step 20] -9.520478523897376e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349270892713958e-09 PASS
Compare to other inputs