Input 03-He-Hartree-Fock.01-gs.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.947939240000000e+00 -2.947939240000000e+00 1.470000000000000e-07 -4.440892098500626e-16 PASS
Exchange energy -7.237347200000001e-01 -7.237347200000001e-01 4.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 1 -7.502350000000000e-01 -7.502350000000000e-01 3.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 5 5.809830000000000e-01 5.809830000000000e-01 1.000000000000000e-06 0.000000000000000e+00 PASS
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