Hi all,(adsbygoogle = window.adsbygoogle || []).push({});

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.

**Physics Forums | Science Articles, Homework Help, Discussion**

Join Physics Forums Today!

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

# Projector augmented wave method

**Physics Forums | Science Articles, Homework Help, Discussion**