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Hi,
<div class="">The error is raised in this file</div>
<div class=""><a href="https://github.com/wannier-developers/wannier90/blob/2ab7a904e8d9b8d8eb771ad4ce6fe2d415c895b0/src/overlap.F90" class="">https://github.com/wannier-developers/wannier90/blob/2ab7a904e8d9b8d8eb771ad4ce6fe2d415c895b0/src/overlap.F90</a></div>
<div class="">(Error “103”).</div>
<div class="">This is due to a problem in the file content.</div>
<div class=""><br class="">
</div>
<div class="">Could you open the file and check if you notice something strange, e.g. ***** instead of numbers, or NaN, or other unexpected values?</div>
<div class="">I fear this might be the problem, and if this is the case, one needs to understand where this happened, fix the pw2wannier90 code and then re-run the code… (but maybe just the Mmn if the problem appeared only in the Mmn file?)</div>
<div class=""><br class="">
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<div class="">Or maybe you will spot some other issue.</div>
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<div class="">Best,</div>
<div class="">Giovanni</div>
<div class=""><br class="">
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-- <br class="">
Giovanni Pizzi<br class="">
Theory and Simulation of Materials and MARVEL, EPFL<br class="">
<a href="http://people.epfl.ch/giovanni.pizzi" class="">http://people.epfl.ch/giovanni.pizzi</a><br class="">
http://nccr-marvel.ch/en/people/profile/giovanni-pizzi</div>
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<blockquote type="cite" class="">
<div class="">On 26 May 2020, at 09:05, Juan Jose Melendez Martinez <<a href="mailto:melendez@unex.es" class="">melendez@unex.es</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div class="">Dear all<br class="">
<br class="">
I am using Wannier90 to study a heterostructure made upon InSb and Ge. The system is large, and I need 848 wannier functions. I am facing a quite weird issue. After the DFT step with QE (successful, nothing strange there), I generated the *nnkp file (no problem)
and then run pw2wannier.x to get the amn and mmn files. Again, nothing apparently strange there. But upon launching wannier90.x I get the error<br class="">
<br class="">
Error: Problem reading input file si_insb_111_2-10.mmn<br class="">
<br class="">
I have not been able to find any piece of info for this error message. It usually means that it is either very simple or very tough to solve. I cross my fingers for the former, since calculating the projections took more than 4 days.
<br class="">
<br class="">
I am attaching the *win and *wout files, just in case they may help. <br class="">
<br class="">
Thanks a lot in advance<br class="">
<br class="">
Juanjo<br class="">
<br class="">
Juan J. Meléndez<br class="">
Department of Physics<br class="">
University of Extremadura<br class="">
Avda. de Elvas, s/n 06006 <br class="">
Badajoz (Spain)<span id="cid:B84ABE78-FA2B-485D-A1EB-39D48CADA1DC@home"><si_insb_111_2-10.wout></span><span id="cid:EE6E6F78-3F69-499A-9B06-227A8E8F9596@home"><<a href="http://si_insb_111_2-10.win" class="">si_insb_111_2-10.win</a>></span>_______________________________________________<br class="">
Wannier mailing list<br class="">
<a href="mailto:Wannier@lists.quantum-espresso.org" class="">Wannier@lists.quantum-espresso.org</a><br class="">
https://lists.quantum-espresso.org/mailman/listinfo/wannier<br class="">
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</blockquote>
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