<div dir="ltr">Hello PWscf users,<br>I have a question about the band structure.<br>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?<br><br>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<br><br> BandLinesScale pi/a<br> %block BandLines # These are comments<br> 1 0.000 0.000 0.000 \Gamma # Begin at Gamma<br> 25 2.000 0.000 0.000 X # 25 points from Gamma to X<br>
10 2.000 1.000 0.000 W # 10 points from X to W<br> 15 1.000 1.000 1.000 L # 15 points from W to L<br> 20 0.000 0.000 0.000 \Gamma # 20 points from L to Gamma<br> 25 1.500 1.500 1.500 K # 25 points from Gamma to K<br>
%endblock BandLines<br clear="all"><br>the first column after<b> %block BandLines</b>
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. <br>
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?<br clear="all"><br>-- <br>Bipul Rakshit<br>PhD Student, <br>Barkatullah University,<br>Bhopal 462026,<br>MP, India<br>
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