You might try to use the latest development version of plotband.x available through the SVN server: http://qe-forge.org/gf/project/q-e/scmsvn/?action=AccessInfo Now it can combine the data from bands.x and projwfc.x to assign a projection-dependent weight to each epsilon_k,v in the band structure plot. It is still undocumented, however the example contained in PP/examples/example05/ should show how to use it.
HTH GS Hi, I would be greatful if you explain how to plot the band decomposed charge density for each site and orbitals. I do not want to plot in continious energy scale, rather I want plot the pdos (site and orbital) points on top of the bandstructure, so that I can visualize (in the bandstructure) that which atoms and orbital contribute to the bands, for example http://link.aps.org/doi/10.1103/PhysRevB.88.085318 Thanks in advance, Kapildeb Dolui Dept. of Physics, National University of Singapore ------------------------------ Message: 13 Date: Fri, 7 Nov 2014 02:48:30 -0200 From: Julian Gamboa <[email protected]<mailto:[email protected]>> Subject: Re: [Pw_forum] band decomposed pDOS To: PWSCF Forum <[email protected]<mailto:[email protected]>> Message-ID: <capn-4wkt9yawn3ysphmgvx3cvmht32r2aolbrzwizip2xqu...@mail.gmail.com<mailto:capn-4wkt9yawn3ysphmgvx3cvmht32r2aolbrzwizip2xqu...@mail.gmail.com>> Content-Type: text/plain; charset="utf-8" yes 2014-11-07 1:47 GMT-02:00 Kapildeb Dolui <[email protected]<mailto:[email protected]>>: > Dear PWscf user, > > Is it possible to plot projected density of states (or wave function > character) of each band (individually) on each orbital and sites ? > > Thanks in advance, > > Kapildeb Dolui, > Research Fellow, > National University Singapore. > > _______________________________________________ > Pw_forum mailing list > [email protected]<mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > -- ....Juli?n Ni?o.... -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20141107/f00ebc76/attachment-0001.html ------------------------------ *************************************** _______________________________________________ Pw_forum mailing list [email protected]<mailto:[email protected]> http://pwscf.org/mailman/listinfo/pw_forum Dr. Gabriele Sclauzero Materials Theory (D_MATL) ETH Zurich, HIT G 43.2 Wolfgang-Pauli-Str. 27 8093 Zürich, Switzerland Phone +41 44 633 94 10 Fax +41 44 633 14 59 [email protected]<mailto:[email protected]> www.theory.mat.ethz.ch/people/postdocs/gsclauze<http://www.theory.mat.ethz.ch/people/postdocs/gsclauze>
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
