Dear VASP users
Has anyone looked into the phase normalization in the PROCAR file (for LORBIT=12 calculations). Orbital weights contained in the PROCAR file always sum to less than unity which is expected because they account only for orbital weight contained within the muffin tins.
However, the squared phases can sum to more than unity. I have also checked that it is not a matter of simple scaling, ie. divide the phases by a constant numerical factor. I cannot make any sense of it. Does anyone have any advice?
Phase normalization in PROCAR file
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Re: Phase normalization in PROCAR file
Thanks but, that doesn't answer the question at all.