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

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Run spack_foss-2022a_serial_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 -2.484040000000000e-01 -2.484260000000000e-01 1.000000000000000e-04 2.199999999999425e-05 PASS
Eigenvalue 2 -5.692400000000000e-02 -5.693900000000000e-02 1.000000000000000e-04 1.499999999999418e-05 PASS
Eigenvalue 3 -4.859600000000000e-02 -4.861100000000000e-02 1.000000000000000e-04 1.500000000000112e-05 PASS
Eigenvalue 4 -3.905100000000000e-02 -3.906500000000000e-02 1.000000000000000e-04 1.400000000000012e-05 PASS
Total energy -1.912141040000000e+00 -1.912211640000000e+00 1.000000000000000e-04 7.059999999992073e-05 PASS
Free energy -1.937284250000000e+00 -1.937354930000000e+00 1.000000000000000e-04 7.067999999987862e-05 PASS
Fermi energy -6.600100000000000e-02 -6.601500000000000e-02 1.000000000000000e-04 1.400000000000012e-05 PASS
Compare to other inputs