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Dear Stephen,
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<div class="">I recommend you to use kmesh.pl script included in Wannier90.</div>
<div class="">See Appendix A.1 of Wannier90 user guide for the usage.</div>
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<div class="">Best regards,</div>
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<div>Minkyu Park</div>
<div>Research Institute of Basic Sciences, University of Ulsan,</div>
<div>93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea</div>
<div><a href="mailto:minkyupark@ulsan.ac.kr" class="">minkyupark@ulsan.ac.kr</a></div>
<div class="">+82-52-259-1473</div>
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<div class="">On 22 Dec 2020, at 8:31 AM, Stephen Zhang <<a href="mailto:lolzen@berkeley.edu" class="">lolzen@berkeley.edu</a>> wrote:</div>
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<div class="">Dear Quantum Espresso community,</div>
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<div class="">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 <br class="">
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class="">
Error in routine irrek_nc (1):<br class="">
Internal problem with k points<br class="">
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<div class="">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.
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<div class="">Thank you,</div>
<div class="">Stephen<br class="">
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<div dir="ltr" class=""><i class="">University of California, Berkeley</i>
<div class=""><i class="">Department of Letter and Sciences</i></div>
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