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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