On Tue, Oct 11, 2016 at 10:33 PM, Ranasinghe, Jayangani < [email protected]> wrote:
I am trying to calculate electron pDOS of Aluminum. It has 1s2 2s2 2p6 3s2 > 3p1 electron configuration. But in my calculation I am getting 1s and 2p > epdos only. > with pseudopotentials there are no "1s" or "2p" atomic orbitals. What you see is 3s and 3p pDOS. Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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