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Did someone can explain me how this method is working?

I know that PAW unifies all-electron and pseudopotential approaches using some transformation operator that is suppose to smooth the true wave function into a auxilary wave function that can easily be represented by a plane wave expansion.

I don't understand why the transformation operator shoud be an identity plus a sum of atomic contributions and how you can get you original wave function back if you make you calculs on the auxilary and still be more computationally efficient?

Best regards,

Tanaka.

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# Projector augmented wave method

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