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Dear Mayuri,
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<div class="">Please try to use the tool ibrav2cell.x to convert the structure used in QE to that of Wannier90.</div>
<div class="">You can find it from /PW/tools/</div>
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<div class="">HTH,</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 1 Jun 2021, at 7:05 PM, Bikash Patra <<a href="mailto:bikash.patra@niser.ac.in" class="">bikash.patra@niser.ac.in</a>> wrote:</div>
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<div class="">Dear Mayuri,<br class="">
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The error means the lattice parameter you are using in your quantum espresso scf or nscf file is
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<div class="">not the same as that of your .win file. Check also the unit whether you are using Bohr or Angstrom.</div>
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<div class="">Bikash Patra,</div>
<div class="">NISER, Bhubaneswar.<br class="">
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<div dir="ltr" class="gmail_attr">On Tue, Jun 1, 2021 at 3:20 PM Mayuri Bora <<a href="mailto:mayu219@tezu.ernet.in" class="">mayu219@tezu.ernet.in</a>> wrote:<br class="">
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I am still waiting for the reply.<br class="">
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Thank You<br class="">
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<br class="">
> Dear QE user<br class="">
><br class="">
> I am trying to interface wannier and QE with pw2wannier90.x. I am getting<br class="">
> continuous error in direct lattice mismatch. The output as shown below-<br class="">
><br class="">
> Spin CASE ( non-collinear )<br class="">
><br class="">
> Wannier mode is: standalone<br class="">
><br class="">
> -----------------<br class="">
> *** Reading nnkp<br class="">
> -----------------<br class="">
><br class="">
> Checking info from wannier.nnkp file<br class="">
><br class="">
> Something wrong!<br class="">
> rlatt(i,j) = 8.335061334110377E-002 at(i,j)= 1.00000000000000<br class="">
><br class="">
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class="">
> Error in routine pw2wannier90 (4):<br class="">
> Direct lattice mismatch<br class="">
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class="">
><br class="">
> stopping ...<br class="">
><br class="">
> I will be thankful if i get some help in this regard.<br class="">
><br class="">
> regards<br class="">
> Mayuri<br class="">
><br class="">
><br class="">
> Mayuri Bora<br class="">
> INSPIRE Fellow<br class="">
> Advanced Functional Material Laboratory<br class="">
> Tezpur University<br class="">
> Napaam<br class="">
> <a href="http://www.tezu.ernet.in/afml/" rel="noreferrer" target="_blank" class="">
http://www.tezu.ernet.in/afml/</a><br class="">
><br class="">
><br class="">
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><br class="">
<br class="">
<br class="">
Mayuri Bora<br class="">
INSPIRE Fellow<br class="">
Advanced Functional Material Laboratory<br class="">
Tezpur University<br class="">
Napaam<br class="">
<a href="http://www.tezu.ernet.in/afml/" rel="noreferrer" target="_blank" class="">http://www.tezu.ernet.in/afml/</a><br class="">
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This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received
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