[Pw_forum] k_points generation in (crystal_b)

[Christoph Wolf(신소재공학과)]

Dear all!

I have a question regarding the generation of k_points for band plots. My cell is cubic and defined via ibrav=1 and a=5.90.

Then I perform scf, nscf, bands calculation using pw.x, run band.x and plotbands to get eventually the pdf.

However, when I design the k path to be

K_POINTS |(crystal_b)
6
  0.5 0.5 0.0 10 !M
  0.5 0.5 0.5 10 !R
  0.0 0.0 0.0 10 !G
  0.0 0.5 0.0 10 !X
  0.5 0.5 0.0 10 !M
0.0 0.0 0.0 10 !G

I get only 5 “vertical lines” in the pdf. Did I Miss something or is it not possible to choose an arbitrary path through the BZ?

Yours,
Chris


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