Input 07-spin_orbit_coupling.02-rkb.inp

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Run foss_cmake: [foss2022a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.330000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 1 -2.699153600000000e+01 -2.699153600000000e+01 1.350000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 3 -2.611300100000000e+01 -2.611300100000000e+01 1.310000000000000e-05 3.552713678800501e-15 PASS
Eigenvalue 5 -1.677094400000000e+01 -1.677094400000000e+01 8.389999999999999e-06 0.000000000000000e+00 PASS
Eigenvalue 7 -1.541523400000000e+01 -1.541523400000000e+01 7.710000000000001e-06 0.000000000000000e+00 PASS
Eigenvalue 9 -1.433957000000000e+01 -1.433957000000000e+01 7.169999999999999e-05 -1.776356839400250e-15 PASS
Eigenvalue 11 -1.430146900000000e+01 -1.430146900000000e+01 7.150000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 13 -1.351210700000000e+01 -1.351210700000000e+01 6.760000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 15 -1.316186900000000e+01 -1.316186900000000e+01 1.320000000000000e-13 1.776356839400250e-15 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 4.697000000000000e-01 4.709000000000000e-01 2.350000000000000e-03 -1.199999999999979e-03 PASS
<Sz> 7 1.286000000000000e-01 1.281000000000000e-01 6.410000000000000e-04 5.000000000000004e-04 PASS
<Sz> 9 1.289000000000000e-01 1.289000000000000e-01 1.290000000000000e-04 0.000000000000000e+00 PASS
<Sz> 11 -8.780000000000000e-02 -8.770000000000000e-02 4.390000000000000e-03 -1.000000000000029e-04 PASS
<Sz> 13 -9.850000000000000e-02 -9.870000000000001e-02 4.940000000000000e-03 2.000000000000057e-04 PASS
<Sz> 15 4.528000000000000e-01 4.533000000000000e-01 2.270000000000000e-03 -5.000000000000004e-04 PASS
Force -5.924907220000000e-01 -5.924907220000000e-01 2.960000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs