<html><head><meta http-equiv="Content-Type" content="text/html; charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><meta http-equiv="Content-Type" content="text/html; charset=us-ascii" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear Zafer,<div class=""><br class=""></div><div class="">The user manual says:</div><div class="">
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<div class="column"><p class=""><span style="font-size: 12.000000pt; font-family: 'SFBX1200'" class="">2.4.11 </span><span style="font-size: 12.000000pt; font-family: 'SFTT1200'" class="">integer :: search_shells
</span></p><p class=""><span style="font-size: 11.000000pt; font-family: 'SFRM1095'" class="">Specifies the number of shells of neighbours over which to search in attempting to determine an
automatic solution to the B1 condition Eq. 2.1. Larger values than the default may be required in
special cases e.g. for very long thin unit cells.
</span></p><p class=""><span style="font-size: 11.000000pt; font-family: 'SFRM1095'" class="">The default value is 36. </span></p>
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</div><div class=""><br class=""></div><div class="">Probably you are using an older version that has a lower default value. Try setting search_shells=36 or 50 or increase it until the problem is solved</div><div class=""><br class=""></div><div class="">Regards,</div><div class="">Stepan Tsirkin</div><div class=""><br class=""><blockquote type="cite" class=""><div class="">On 18 May 2020, at 10:02, Zafer Kandemir <<a href="mailto:zaferkandemir35@gmail.com" class="">zaferkandemir35@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">Dear Wannier users and developers,</div><div class=""> </div><div class="">I'm using wannier90 and pwscf for calculation on a hexagonal structure. I attached my wannier input file *.win.<br class=""></div>When I want to do the -pp operation with wannier90, I obtain this error :<br class=""><div class="">__</div><div class=""> | The b-vectors are chosen automatically |<br class=""> <br class=""> Unable to satisfy B1 with any of the first 12 shells<br class=""> Your cell might be very long, or you may have an irregular MP grid<br class=""> Try increasing the parameter search_shells in the win file (default=12)<br class=""> <br class=""> Exiting.......<br class=""> kmesh_get_automatic<br class=""></div><div class="">__</div><div class=""><br class=""></div><div class="">Best regards<br class=""><br class="">--<br class="">Zafer Kandemir<br class="">Postdoctoral Researcher - Theoretical Physicist<br class="">Mechanical Engineering Department<br class="">Eskisehir Technical University<br class="">26555 Tepebasi-ESKISEHIR/TURKEY<br class="">----------------------------------------<br class=""></div></div>
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