In CASTEP and Quantum Espresso, the spilling parameter can be used as an estimate of how well the total DOS is projected onto the atomic orbitals. A small spilling parameter implies a good projection. I want to know how to test the accuracy of the projection in VASP. Is this possible? Is the projection scheme used in VASP different from QE?
I would also like an answer to this question. When I've performed PDOS calculations in VASP the projection seems in general to be quite poor so far ....
The s;pilling parameter is a measure of how well the occupied electron manifold superposes to the one spanned by the atomic wavefunctions, used to build the projected density of states. The smaller it is the better is the superposition. If the spilling parameter is large this means that your crystal wavefunctions are rather different from superposition of atomic wavefunctions.
for example the value 0.001,0.002 is that good
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