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

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2022a_cuda_serial

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	5.000000000000000e-03	0.000000000000000e+00	PASS
Total Energy	-2.565692055600000e+02	-2.565692055600000e+02	1.280000000000000e-07	0.000000000000000e+00	PASS
Eigenvalue 1	-1.985614000000000e+01	-1.985614000000000e+01	9.930000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 2	-6.753351000000000e+00	-6.753350999999999e+00	3.380000000000000e-05	-8.881784197001252e-16	PASS
Eigenvalue 3	-6.753351000000000e+00	-6.753350999999999e+00	3.380000000000000e-05	-8.881784197001252e-16	PASS
Eigenvalue 4	-6.753351000000000e+00	-6.753350999999999e+00	3.380000000000000e-05	-8.881784197001252e-16	PASS

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