[QE-users] nscf crashing

Elio Physics Elio-Physics at live.com
Sun Mar 14 23:53:58 CET 2021


Dear all,

I am trying to perform an nscf calculation where the points in KPOINTS are produced from kmesh.pl utility. I have realized that when list of number of points exceeds a certain value (I am using 2304 points with the crystal option), the code crashes with an error:

          from card_kpoints : error #         1
      end of file while reading crystal k points

When I try producing a smaller grid  with a smaller number of points , say 1225 (crystal), the nscf calculation runs without complaints . I am using the lastest version qe-6.7. I do not recall having this problem in a previous version.

Thanks in advance


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