Projectors in psp8

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Projectors in psp8

Post by feraguig » Thu Feb 02, 2017 6:20 pm


Trying to understand the .psp8 format, I realized that there are more than one projector per angular momentum, regardless of the value of l (C has 2 projector for l=0, 2 for l=1...). So this number of projectors is not related with the magnetic quantum number (otherwise, for l=0, nproj should be 1, for l=1, nproj should be 3...)
So... why do we have more than 1 projector per angular momentum (if atoms have spherical symmetry)? What are exactly these projectors?

Thank you!


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Re: Projectors in psp8

Post by ebousquet » Thu Feb 09, 2017 10:14 am

Dear Fernando,
If you are using the pseupotentials generated with ONCVPSP (i.e. pseudo-dojo/new Abinit web site pseudos with the psp8 format), you might find some clarifications of your question in the Don Hamann paper: ... .88.085117
Best wishes,

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