1.) change the plotting range given in input to your plotting routine 2.) write a 5-10 line fortran_code/bash_script /awk/java/whathever_you_are_familiar_with that makes this trivial task for you and feed the resulting data to pw.x best regards, Stefano
Bipul Rakshit wrote: > Hello PWscf users, > I have a question about the band structure. > 1. I have plotted the band structure of ScSb. There i found that in > that post script file it draw the band very near the fermi level > (-12.0:3.0) only. But if I want the bands range say -20:20, what and > where I have to change? > > 2. I have given the K-points as used in Si calculation in examples, in > my ScSb file. It works well. But I am also using SIESTA, where we > mention the k-points as below > > BandLinesScale pi/a > %block BandLines # These are comments > 1 0.000 0.000 0.000 \Gamma # Begin at Gamma > 25 2.000 0.000 0.000 X # 25 points from Gamma to X > 10 2.000 1.000 0.000 W # 10 points from X to W > 15 1.000 1.000 1.000 L # 15 points from W to L > 20 0.000 0.000 0.000 \Gamma # 20 points from L to Gamma > 25 1.500 1.500 1.500 K # 25 points from Gamma to K > %endblock BandLines > > the first column after* %block BandLines* shows the number of points > between the given k-points (like 25 points between Gamma and X). In > this way we dont have to mention all the k-points and we get a smooth > graph. But in pwscf I have to mention all the k-points in order to get > a smooth graph as in the example of Si. > So my question is, is there any way so that we have to mention only > the points at the zone boundary, and rest of the points it will take > automatically? > > -- > Bipul Rakshit > PhD Student, > Barkatullah University, > Bhopal 462026, > MP, India > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
