The number of valence electrons for rare earth in PBE.
Posted: Mon Feb 16, 2009 8:13 pm
Hey vasp users,
I am doing calculations with the PBE POTCAR files for Eu_2 and Gd_3. I found after calculations that Eu_2 has 8 valence electrons and Gd_3 has 9 valence electrons. Does anybody know how these are counted? We know that Eu has 9 and Gd has 10 valence electrons. Why are they both 1 less?
I am doing calculations with the PBE POTCAR files for Eu_2 and Gd_3. I found after calculations that Eu_2 has 8 valence electrons and Gd_3 has 9 valence electrons. Does anybody know how these are counted? We know that Eu has 9 and Gd has 10 valence electrons. Why are they both 1 less?