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

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_min_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864100e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196298939976e-06 PASS
Benzene Energy [step 20] -3.744529933934513e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563667049712e-06 PASS
Benzene Multipoles [step 0] -3.842122168190644e-15 0.000000000000000e+00 1.000000000000000e-10 -3.842122168190644e-15 PASS
Benzene Multipoles [step 20] -9.520478524027201e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349257910260304e-09 PASS
Compare to other inputs