Quite likely, you did not calculate the band structure along a path in the Brillouin zone, but used the output of the scf calculation (k-point grid). After running pw.x with calculation=‘scf’ or calculation=‘relax’, you need to rerun it with a new input file, calculation=‘bands’ and K_POINTS card containing a suitable path of k-points. See also examples of band structure calculation included in the QE-package.
You can set Emin (Emax) to the value of the lowest (highest) eigenvalue), unless you need to select some specific energy range. Giovanni PS Users of this forum are usually kindly requested to sign messages with affiliation > On 06 Apr 2016, at 05:25, Manu Hegde <[email protected]> wrote: > > Hello All, > > I was trying to plot band structure of PbTiO3, I could only see dots in > bands.ps <http://bands.ps/> file. I am not sure what is the reason for this. > Is it due to the wrong k-point selection?. I am also not sure about energy > selection along y-axis (Emax, Emin). I have attached bands.ps > <http://bands.ps/> file please have a look. Please help to overcome from this > problem. > > Thanks and Regards > > Manu > <pbtio.bands.ps>_______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele
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