Input 03-octopus_basics-total_energy_convergence.02-methane.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	3.380000000000000e-05	0.000000000000000e+00	PASS
Total Energy	-2.190373430200000e+02	-2.190373430200000e+02	1.100000000000000e-07	0.000000000000000e+00	PASS
Eigenvalue 1	-1.599096500000000e+01	-1.599096500000000e+01	8.000000000000000e-13	0.000000000000000e+00	PASS
Eigenvalue 2	-9.065614999999999e+00	-9.065616000000000e+00	4.530000000000000e-05	1.000000001027956e-06	PASS
Eigenvalue 3	-9.065614999999999e+00	-9.065616000000000e+00	4.530000000000000e-05	1.000000001027956e-06	PASS
Eigenvalue 4	-9.065614999999999e+00	-9.065616000000000e+00	4.530000000000000e-05	1.000000001027956e-06	PASS

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