Input 03-magnetic.01-gs-unpolarized.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -2.484110000000000e-01 -2.484260000000000e-01 1.000000000000000e-04 1.500000000001500e-05 PASS
Eigenvalue 2 -5.693200000000000e-02 -5.693900000000000e-02 1.000000000000000e-04 6.999999999993123e-06 PASS
Eigenvalue 3 -4.860400000000000e-02 -4.861100000000000e-02 1.000000000000000e-04 7.000000000000062e-06 PASS
Eigenvalue 4 -3.905900000000000e-02 -3.906500000000000e-02 1.000000000000000e-04 5.999999999999062e-06 PASS
Total energy -1.912160260000000e+00 -1.912211640000000e+00 1.000000000000000e-04 5.137999999993426e-05 PASS
Free energy -1.937303470000000e+00 -1.937354930000000e+00 1.000000000000000e-04 5.145999999989215e-05 PASS
Fermi energy -6.600900000000000e-02 -6.601500000000000e-02 1.000000000000000e-04 6.000000000006001e-06 PASS
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