Input 02-fock-darwin.02-ground_state.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss-serial-min: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 0.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-05 -1.000000000000000e+00 FAIL
Eigenvalue 1 1.079800000000000e-02 9.999000000000000e-01 1.000000000000000e-05 -9.891020000000000e-01 FAIL
Eigenvalue 5 6.743800000000000e-02 2.000000000000000e+00 1.000000000000000e-05 -1.932562000000000e+00 FAIL
Eigenvalue 9 1.780647000000000e+00 2.999900000000000e+00 1.000000000000000e-05 -1.219253000000000e+00 FAIL
Eigenvalue 13 2.742124000000000e+00 3.999600000000000e+00 1.000000000000000e-05 -1.257476000000000e+00 FAIL
Eigenvalue 17 4.169528000000000e+00 4.000000000000000e+00 1.000000000000000e-05 1.695279999999997e-01 FAIL
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