[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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