Double check your valence electron configuration. It should be 3s^n 3P^n (n=number of electrons).
On Tue, Oct 11, 2016 at 4:33 PM, Ranasinghe, Jayangani <[email protected] > wrote: > Dear QE users > > > 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. I have attached my input files . I greatly appreciate If anyone > can help to get this corrected. > > > I tried changing Emax and Emin in epdos.in. But it didn't work. How can > we choose this energy range correctly ? > > > Thank you > > Jaya > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
