Dear Kapildeb Dolui I do not think there is a tool doing this in QE, however, from the output of projwfc you can find all the necessary information to plot the band-structure with variable size spots depending on the weight of the corresponding eigenfunction.
There is a useful option of xmgrace where you can plot a curve from a input format of the type x y w where w is the corresponding weight (size) of the dot... So I guess you should write the program yourself that go into the projwfc output and build the appropriate input file for xmgrace.... Cyrille -------------------------------------------------------------------------- Cyrille Barreteau CEA Saclay, IRAMIS, SPEC Bat. 771 91191 Gif sur Yvette Cedex, FRANCE ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ DTU Nanotech Ørsteds Plads, building 345E DK-2800 Kgs. Lyngby, DENMARK ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +33 1 69 08 29 51 / +33 6 47 53 66 52 (mobile) (Fr) +45 45 25 63 12/ +45 28 72 55 18 (mobile) (Dk) email: [email protected] / [email protected] Web: http://iramis.cea.fr/Pisp/cyrille.barreteau/ ------------------------------------------------------------------------------- ________________________________ De : [email protected] [[email protected]] de la part de Kapildeb Dolui [[email protected]] Envoyé : vendredi 7 novembre 2014 15:09 À : [email protected] Objet : Re: [Pw_forum] band decomposed pdos, 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 ------------------------------ ***************************************
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