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

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864103e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196334467113e-06 PASS
Benzene Energy [step 20] -3.744529933934503e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563567573729e-06 PASS
Benzene Multipoles [step 0] -1.846108382600597e-15 0.000000000000000e+00 1.000000000000000e-10 -1.846108382600597e-15 PASS
Benzene Multipoles [step 20] -9.520478524013823e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349259248057365e-09 PASS
Compare to other inputs