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

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_cmake_ceph: [foss2023a-mpi, foss-min-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