Dear Liming, yes you can. See PP/examples/examples02 where this is done for bulk Ni. Just have a band structure calculation than a projwfc.x run with kresolveddos=.true.
Depending on the further graphical processing, you may want to plot the PDOS_nlm(k,E) as a color map, or extract the weight of the states you want to plot from the output of projwfc.x, or check the prefix.save/atomic_proj.xml file. Hope this helps Guido On 08/03/2016 07:49, L.M J wrote: > Dear all > > I saw few papers include the orbital weight in their calculated band > structure. For example, certain band energy is contributed by > hybridization from "s & p" orbitals including how much percent of each > orbital. Or see the example page(http://gvallver.perso.univ-pau.fr/?p=587) > > It there any way I can extract similar information by using quantum > espresso? > > Thanks for advance. > > Kind regards, > Liming -- Guido Fratesi Dipartimento di Fisica Universita` degli Studi di Milano Via Celoria 16, 20133 Milano, Italy web: https://sites.google.com/site/guidofratesi/ _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
