[Pw_forum] electron configuration of Ni

[Masoud Nahali]

Dear Quantum Espresso Users

I have used Ni.pbe-nd-rrkjus.UPF pseudo-potential for nickel in my project.
In the info part of this pseudopotential has been written :

Info:   Ni PBE 3d9 4s1 RRKJ3 US

But I know that the well established electron configuration for nickel is
"3d8 4s2" and now I am too worry that it may cause an error in my work. May
it ?
 I appreciate your help to understand the point in advance. Many Thanks



Best Wishes
 *

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Masoud Nahali

PhD Student of Physical Chemistry
Sharif University of Technology
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