Why Pt has electron occupations in p-orbitals

[sjtuzhanglei]

Dear admin,

I use VASP and Pt PAW pseudopotential with valence electrons d9s1. Initially no p electrons.

However, after the calculation converged. I analyzed the electron DOS. I found under fermi level, there is significant p-orbital electron densities. How could it be?

I am very confused.

Thanks,

[admin]

please learn about the PAW method, you will find the answer in the papers introducing the method
(you can find the citations in the vasp-manual)