Input 13-full_potential_hydrogen.01-gs.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -4.430600000000000e-01 -4.430600000000000e-01 2.220000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 2 -2.430000000000000e-03 -2.430000000000000e-03 1.210000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.429840000000000e-03 -2.429840000000000e-03 1.210000000000000e-07 0.000000000000000e+00 PASS
Current flow 5.173464596890000e-02 5.173464596890000e-02 5.170000000000000e-16 0.000000000000000e+00 PASS
1s <Lx> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
1s <Ly> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
1s <Lz> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
1s <L2> 2.650000000000000e-03 2.650000000000000e-03 1.320000000000000e-04 0.000000000000000e+00 PASS
2pz <Lx> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
2pz <Ly> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
2pz <Lz> -9.998080000000000e-01 -9.998080000000000e-01 5.000000000000000e-05 0.000000000000000e+00 PASS
2pz <L2> 2.030389000000000e+00 2.030389000000000e+00 1.020000000000000e-05 0.000000000000000e+00 PASS
Tot <Lx> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Tot <Ly> 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Tot <Lz> -9.998080000000000e-01 -9.998080000000000e-01 5.000000000000000e-05 0.000000000000000e+00 PASS
Tot <L2> 2.030389000000000e+00 2.030389000000000e+00 1.020000000000000e-05 0.000000000000000e+00 PASS
Magnetic Field at loop center 1.068184608805780e-03 1.068184608805780e-03 1.070000000000000e-17 -2.168404344971009e-19 PASS
Compare to other inputs