Dear Quantum Espresso community,
I'm currently trying to wannierize the wavefunctions for Co3Sn2S2 in my
calculations. To do so I must perform scf and nscf calculations, and for
the nscf calculations I must input the individual k-points in the crystal
representation. Unfortunately when I do this I get the error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine irrek_nc (1):
Internal problem with k points
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I've examined the source code and found that this error occurs when iks /=
nks where nks is the number of k points in the input file. I wanted to ask
if anyone had suggestions on how to possibly resolve this issue.
Thank you,
Stephen
--
*University of California, Berkeley*
*Department of Letter and Sciences*
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