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

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -2.699840000000000e-01 -2.700070000000000e-01 1.000000000000000e-04 2.299999999999525e-05 PASS
Eigenvalue 2 -2.230790000000000e-01 -2.231010000000000e-01 1.000000000000000e-04 2.199999999999425e-05 PASS
Eigenvalue 3 -7.778700000000000e-02 -7.780200000000000e-02 1.000000000000000e-04 1.500000000000112e-05 PASS
Eigenvalue 4 -6.887100000000000e-02 -6.888600000000000e-02 1.000000000000000e-04 1.500000000000112e-05 PASS
Eigenvalue 5 -6.887100000000000e-02 -6.888600000000000e-02 1.000000000000000e-04 1.500000000000112e-05 PASS
Total energy -1.927081360000000e+00 -1.927155420000000e+00 1.000000000000000e-04 7.405999999998691e-05 PASS
Free energy -1.944581130000000e+00 -1.944655270000000e+00 1.000000000000000e-04 7.413999999994481e-05 PASS
Fermi energy -7.666900000000000e-02 -7.668400000000000e-02 1.000000000000000e-04 1.500000000000112e-05 PASS
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