Input 02-octopus_basics-basic_input_options.01-N_atom.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_mpi_omp

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS
Number of inner points	8.972700000000000e+04	8.972700000000000e+04	1.000000000000000e-04	0.000000000000000e+00	PASS
Grid cutoff	1.160586810000000e+03	1.160586810000000e+03	1.000000000000000e-04	0.000000000000000e+00	PASS
Matrix vector products	2.500000000000000e+01	2.500000000000000e+01	1.000000000000000e-04	0.000000000000000e+00	PASS
Converged eigenvectors	0.000000000000000e+00	0.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS
Total Energy	-2.622416245100000e+02	-2.622406766300001e+02	9.950000000000000e-04	-9.478799999556031e-04	PASS

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