[Pw_forum] pw2wannier error

Elie Moujaes elie.moujaes at hotmail.co.uk
Tue Nov 30 13:56:09 CET 2010


Dear all,
 
I am applying the pw2wannier90.x executable to bilayer graphene but I am getting the very famous error:
 
Checking info from wannier.nnkp file

  Something wrong! 
  rlatt(i,j) = 4.536660026280493  at(i,j)= 5.3304100000000005

 
I am using the version v3.2.3 of wannier90 so the precision to which the lattice vectors are written should be fine. The strange thing is that the values are not that close to each other. You will find attcahed the scf and the win files.
 
Regards
 
Elie Moujaes
University of Nottingham
NG7 2RD
UK 		 	   		  
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