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

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run intel-parallel: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864121e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196512102797e-06 PASS
Benzene Energy [step 20] -3.744529933934537e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563908634242e-06 PASS
Benzene Multipoles [step 0] -8.127491297456084e-15 0.000000000000000e+00 1.000000000000000e-10 -8.127491297456084e-15 PASS
Benzene Multipoles [step 20] -9.520478524068427e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349253787581543e-09 PASS
Compare to other inputs