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

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-min-parallel: [foss2023b-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864118e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196483681088e-06 PASS
Benzene Energy [step 20] -3.744529933934516e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563702576848e-06 PASS
Benzene Multipoles [step 0] 1.138807777667150e-14 0.000000000000000e+00 1.000000000000000e-10 1.138807777667150e-14 PASS
Benzene Multipoles [step 20] -9.520478523878307e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349272799608739e-09 PASS
Compare to other inputs