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

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -2.699910000000000e-01 -2.700070000000000e-01 1.000000000000000e-04 1.600000000001600e-05 PASS
Eigenvalue 2 -2.230860000000000e-01 -2.231010000000000e-01 1.000000000000000e-04 1.499999999998725e-05 PASS
Eigenvalue 3 -7.779600000000000e-02 -7.780200000000000e-02 1.000000000000000e-04 5.999999999992123e-06 PASS
Eigenvalue 4 -6.888000000000000e-02 -6.888600000000000e-02 1.000000000000000e-04 6.000000000006001e-06 PASS
Eigenvalue 5 -6.888000000000000e-02 -6.888600000000000e-02 1.000000000000000e-04 6.000000000006001e-06 PASS
Total energy -1.927100620000000e+00 -1.927155420000000e+00 1.000000000000000e-04 5.480000000002150e-05 PASS
Free energy -1.944600390000000e+00 -1.944655270000000e+00 1.000000000000000e-04 5.487999999997939e-05 PASS
Fermi energy -7.667700000000000e-02 -7.668400000000000e-02 1.000000000000000e-04 7.000000000007001e-06 PASS
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