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

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run cuda-serial: [foss2022a-cuda-mpi]

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	-2.622394222700000e+02	-2.622403158000000e+02	9.829999999999999e-04	8.935300000416646e-04	PASS

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