[Wannier] info transitional metals
neutrinofrancese at gmail.com
Mon Sep 15 10:47:52 CEST 2014
Dear all Wannier90 users,
i’d like to ask you, as newbie in the Wannier90 approach, how would you set the < projection > for a simple zirconia cubic structure, with 60 bands (in QE input file), being zirconium a transition metal? Moreover, how many wanner bands, < num_wann > would you set ?
Thanks in advance,
Università Cà Foscari di Venezia
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