[Wannier] Problem reading *.mmn file

Juan Jose Melendez Martinez melendez at unex.es
Tue May 26 09:05:21 CEST 2020


Dear all

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

Error: Problem reading input file si_insb_111_2-10.mmn

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. 

I am attaching the *win and *wout files, just in case they may help. 

Thanks a lot in advance

Juanjo

Juan J. Meléndez
Department of Physics
University of Extremadura
Avda. de Elvas, s/n 06006 
Badajoz (Spain)
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