DOSComputePDOS

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DOSComputePDOS

Section Output
Type logical
Default false

Determines if projected dos are computed or not. At the moment, the PDOS is computed from the bare pseudo-atomic orbitals, directly taken from the pseudopotentials. The orbitals are not orthonormalized, in order to preserve their atomic orbitals character. As a consequence, the sum of the different PDOS does not integrate to the total DOS.

The radii of the orbitals are controled by the threshold defined by AOThreshold, and the fact that they are normalized or not by AONormalize.


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