The Projector Augmented Wave method
The Projector Augmented Wave method
The Projector Augmented Wave method
SHOW LESS
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
Advantages of PAW• No need to deal with inert core electrons.• Valence pseudo wave functions are smooth and without nodesinside the augmentation spheres.• Access to full all-electron wave functions and density. Useful fororbital-dependent XC-functionals.4
Change language