Input 07-spin_orbit_coupling.02-rkb.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run GCI_foss_mpi_min_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.330000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 1 -2.728752200000000e+01 -2.728752000000000e+01 1.360000000000000e-04 -2.000000002055913e-06 PASS
Eigenvalue 3 -2.640807800000000e+01 -2.640807600000000e+01 1.320000000000000e-05 -1.999999998503199e-06 PASS
Eigenvalue 5 -1.705815100000000e+01 -1.705815100000000e+01 8.530000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 7 -1.572035400000000e+01 -1.572035400000000e+01 7.859999999999999e-06 0.000000000000000e+00 PASS
Eigenvalue 9 -1.463506500000000e+01 -1.463506500000000e+01 7.320000000000000e-06 -1.776356839400250e-15 PASS
Eigenvalue 11 -1.461973000000000e+01 -1.461973000000000e+01 7.310000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 13 -1.381373700000000e+01 -1.381373700000000e+01 6.910000000000000e-06 1.776356839400250e-15 PASS
Eigenvalue 15 -1.347137400000000e+01 -1.347137400000000e+01 6.740000000000000e-06 -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 4.696000000000000e-01 4.709000000000000e-01 2.350000000000000e-03 -1.299999999999968e-03 PASS
<Sz> 7 1.281000000000000e-01 1.281000000000000e-01 6.410000000000000e-04 0.000000000000000e+00 PASS
<Sz> 9 1.292000000000000e-01 1.296000000000000e-01 6.480000000000000e-04 -3.999999999999837e-04 PASS
<Sz> 11 -8.770000000000000e-02 -8.770000000000000e-02 4.390000000000000e-03 0.000000000000000e+00 PASS
<Sz> 13 -9.870000000000000e-02 -9.870000000000001e-02 4.940000000000000e-03 1.387778780781446e-17 PASS
<Sz> 15 4.533000000000000e-01 4.533000000000000e-01 2.270000000000000e-03 0.000000000000000e+00 PASS
Force -8.146843120000000e-01 -8.146843120000000e-01 4.070000000000000e-08 0.000000000000000e+00 PASS
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