Input 03-magnetic.05-gs-spinors.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.590000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 1 -2.699910000000000e-01 -2.699910000000000e-01 1.350000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 2 -2.230860000000000e-01 -2.230860000000000e-01 1.120000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 3 -7.779600000000000e-02 -7.779600000000000e-02 3.890000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 4 -6.888000000000000e-02 -6.888000000000000e-02 3.440000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 5 -6.888000000000000e-02 -6.888000000000000e-02 3.440000000000000e-04 0.000000000000000e+00 PASS
Total energy -1.927100620000000e+00 -1.927100620000000e+00 9.640000000000000e-08 -2.220446049250313e-16 PASS
Free energy -1.944600390000000e+00 -1.944600390000000e+00 9.720000000000000e-08 0.000000000000000e+00 PASS
Fermi energy -7.667700000000000e-02 -7.667700000000000e-02 3.830000000000000e-05 0.000000000000000e+00 PASS
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