Input 01-carbon_atom.04-smear.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	6.809999999999999e-08	0.000000000000000e+00	PASS
Total energy	-1.467410507200000e+02	-1.467410507200000e+02	7.340000000000000e-08	-2.842170943040401e-14	PASS
Eigenvalue [1up]	-1.446074200000000e+01	-1.446074200000000e+01	7.230000000000000e-06	0.000000000000000e+00	PASS
Occupation [1up]	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-01	0.000000000000000e+00	PASS
Eigenvalue [4down]	-3.681657000000000e+00	-3.681657000000000e+00	1.840000000000000e-05	0.000000000000000e+00	PASS
Occupation [4down]	0.000000000000000e+00	0.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS

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