Input 09-carbon_cpi.01-gs.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run foss-opt-full: [foss2023a-serial]

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS
Total energy	-1.468134881300000e+02	-1.468134881000000e+02	7.340000000000000e-07	-2.999999537678377e-08	PASS
Eigenvalue [1up]	-1.446683800000000e+01	-1.446683800000000e+01	7.230000000000000e-13	1.776356839400250e-15	PASS
Occupation [1up]	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-01	0.000000000000000e+00	PASS
Eigenvalue [4down]	-3.682720000000000e+00	-3.682720000000000e+00	1.840000000000000e-04	-4.440892098500626e-16	PASS
Occupation [4down]	0.000000000000000e+00	0.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS

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