Section Atomic Orbitals
This option determines how Octopus will truncate the orbitals used for LDA+U. Except for the full method, the other options are only there to get a quick idea.
The full size of the orbitals used. The radius is controled by variable AOThreshold.
The radius of the orbitals are restricted to the size of the simulation box.
This reduces the number of points used to discretize the orbitals.
This is mostly a debug option, and one should be aware that changing the size of the simulation box
will affect the result of the calculation. It is recommended to use ao_nlradius instead.
The radius of the orbitals are restricted to the radius of the non-local part of the pseudopotential
of the corresponding atom.
basis_set/orbitalbasis.F90 : 100
call parse_variable(namespace, 'AOTruncation', OPTION__AOTRUNCATION__AO_FULL, this%truncation)
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