[Wannier] problem about pw2wannier90.x

[Hua-Qing Huang]

Dear all,
  Recently，I have got a problem when calculating MLWF. There is a error in 
the output of pw2annier90.x. The calculation were done as following: 

1)pw.x < scf.in >scf.out  
2)pw.x < nscf.in >nscf.out
3)wannier90.x -pp Alpha 
4)pw2wannier90.x Alpha.pw2wan >Alpha.pw2wan.out
5)wannier90.x Alpha

The scf and nscf calculation are finished correctly, but there are some wrong 
in Alpha.pw2wan.out. I have check the kpoint list in the nscf.in and Alpha.win  
according to (http://www.democritos.it/pipermail/wannier/2012-
June/000535.html), but still can't solve the problem. 



--  
Huaqing Huang 
Ph.D. candidate 
Group of Condensed Matter Theory 
Department of Physics 
Tsinghua University 
Beijing, 100084 
P.R.CHINA 
Tel: 86-10-62772784

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