Thank you sir, I was able to figure it out. Thank you for all the help.
Thanks Ankit Sharma University at Buffalo On Thu, Mar 21, 2019, 08:04 Ankit Sharma <[email protected]> wrote: > Hi, > I am sorry for the sloppiness. > I generated a list of k points setting nosym and noinv to TRUE in scf > calculation for a system with 2/m point group symmetry. I also generated > the k point list with full symmetry consideration by setting the above two > flags to FALSE. Apart from identity, there are 3 more symmetry Operations > with inversion, 180° rotation and inv. 180° rotation. > > Now I apply the symmetry operation of the point group manually to the list > of k points with no symmetry and try to match the output with that of the > symmetry reduced k point list generated above. > > The number of points obtained don't match. I get more points than that > generated by QE with full symmetry consideration. Am I conceptually wrong? > > Thanks > Ankit Sharma > University at Buffalo > > > > On Wed, Mar 20, 2019, 22:53 Ankit Sharma <[email protected]> wrote: > >> Hi, >> This question might be trivial; I have a set of k points spanning the >> full BZ and I want to reduce it to the IBZ. So for that, I used the point >> group symmetry Operations to reduce the k points. But I am not able to >> match the reduced number of k points that I calculate to the output from QE. >> Any help would be appreciated. >> >> Thank You, >> Ankit Sharma >> University at Buffalo >> >
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