Input 03-octopus_basics-total_energy_convergence.01-N_atom.inp

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Run foss-mpi-omp-full: [foss2023a-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	5.000000000000000e-03	0.000000000000000e+00	PASS
Total Energy	-2.565682111000000e+02	-2.565682111000000e+02	1.280000000000000e-06	0.000000000000000e+00	PASS
Eigenvalue 1	-1.985626100000000e+01	-1.985626100000000e+01	9.930000000000000e-06	0.000000000000000e+00	PASS
Eigenvalue 2	-6.753304000000000e+00	-6.753304000000000e+00	3.380000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 3	-6.753304000000000e+00	-6.753304000000000e+00	3.380000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 4	-6.753304000000000e+00	-6.753304000000000e+00	3.380000000000000e-05	0.000000000000000e+00	PASS

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