Dear QE users and developers, I am trying to do projected-DOS calculations of rubidium, using Dal Corso paw PP Rb.pbe-spn-kjpaw_psl.1.0.0.UPF. My problem is that although the generation configuration of the PP includes the unpopulated orbitals 4d and 5p, the only projections I get from projwfc.x are the 4s,5s,4p and 5p - without the 4d orbital. Literature suggests that both the 4d and the 5p orbitals are significant above the Fermi level, which may explain the difference I get when comparing the total DOS calculation to the sum of all the projected DOS. I tried using an ultrasoft PP (rb_pbe_v1.uspp.F.UPF), which gives the 4d and not the 5p orbital. Is there any way to get the all the projections? Many thanks, Daniela
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