AOSubmesh

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AOSubmesh

Section Atomic Orbitals
Type logical

If set to yes, Octopus will use submeshes to internally store the orbitals with their phase instead of storing them on the mesh. This is usually slower for small periodic systems, but becomes advantageous for large supercells. Submeshes are not compatible with Loewdin orthogonalization. For periodic systems, the default is set to ye, whereas it is set to no for isolated systems.


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