Input 08-spin_orbit_coupling_full.03-unocc.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Eigenvalue 11 -1.471055700000000e+01 -1.471055700000000e+01 7.360000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 13 -1.390278900000000e+01 -1.390278900000000e+01 6.950000000000000e-06 -1.776356839400250e-15 PASS
Eigenvalue 15 -1.353787400000000e+01 -1.353787400000000e+01 6.770000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 16 -1.293229800000000e+01 -1.293229800000000e+01 6.470000000000000e-06 1.776356839400250e-15 PASS
Eigenvalue 17 -5.035163000000000e+00 -5.035163000000001e+00 2.520000000000000e-05 8.881784197001252e-16 PASS
Eigenvalue 18 -4.974504000000000e+00 -4.974504000000000e+00 2.490000000000000e-14 8.881784197001252e-16 PASS
Eigenvalue 19 -4.127237000000000e+00 -4.127237000000000e+00 2.060000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 20 -4.116129000000000e+00 -4.116129000000000e+00 2.060000000000000e-05 0.000000000000000e+00 PASS
<Sz> 11 1.300000000000000e-01 1.300000000000000e-01 6.500000000000000e-02 0.000000000000000e+00 PASS
<Sz> 13 -1.012000000000000e-01 -1.012000000000000e-01 5.060000000000000e-04 0.000000000000000e+00 PASS
<Sz> 15 4.557000000000000e-01 4.557000000000000e-01 2.280000000000000e-03 0.000000000000000e+00 PASS
<Sz> 16 -4.671000000000000e-01 -4.671000000000000e-01 2.340000000000000e-03 0.000000000000000e+00 PASS
<Sz> 17 5.000000000000000e-01 5.000000000000000e-01 2.500000000000000e+00 0.000000000000000e+00 PASS
<Sz> 18 -5.000000000000000e-01 -5.000000000000000e-01 2.500000000000000e+00 0.000000000000000e+00 PASS
<Sz> 19 4.526000000000000e-01 4.526000000000000e-01 2.260000000000000e-03 0.000000000000000e+00 PASS
<Sz> 20 4.675000000000000e-01 4.675000000000000e-01 2.340000000000000e-03 0.000000000000000e+00 PASS
Compare to other inputs