Input 08-spin_orbit_coupling_full.02-rkb.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
Eigenvalue 1 -2.732888100000000e+01 -2.732888100000000e+01 1.370000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 3 -2.643841900000000e+01 -2.643841900000000e+01 1.320000000000000e-05 3.552713678800501e-15 PASS
Eigenvalue 5 -1.712713000000000e+01 -1.712713000000000e+01 8.559999999999999e-05 -3.552713678800501e-15 PASS
Eigenvalue 7 -1.577903500000000e+01 -1.577903500000000e+01 7.890000000000001e-06 0.000000000000000e+00 PASS
Eigenvalue 9 -1.471321900000000e+01 -1.471321900000000e+01 7.360000000000000e-06 -1.776356839400250e-15 PASS
Eigenvalue 11 -1.471055700000000e+01 -1.471055700000000e+01 7.360000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 13 -1.390279000000000e+01 -1.390279000000000e+01 6.950000000000000e-05 1.776356839400250e-15 PASS
Eigenvalue 15 -1.353787500000000e+01 -1.353787500000000e+01 6.770000000000000e-06 0.000000000000000e+00 PASS
<Sz> 1 5.000000000000000e-01 5.000000000000000e-01 2.500000000000000e+00 0.000000000000000e+00 PASS
<Sz> 3 5.000000000000000e-01 5.000000000000000e-01 2.500000000000000e+00 0.000000000000000e+00 PASS
<Sz> 5 4.713000000000000e-01 4.713000000000000e-01 2.360000000000000e-03 0.000000000000000e+00 PASS
<Sz> 7 1.288000000000000e-01 1.288000000000000e-01 6.440000000000000e-04 0.000000000000000e+00 PASS
<Sz> 9 -8.470000000000000e-02 -8.470000000000000e-02 4.240000000000000e-03 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
Force -6.681339680000000e-01 -6.681339680000000e-01 3.340000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs