[Wannier] Error: Problem reading eigenvalue file *.eig

[Jonathan Yates]

On 3 Aug 2010, at 19:09, <rvedula at purdue.edu> <rvedula at purdue.edu> wrote:

> Dear All,
> 
> I am trying to do a Gamma point Wannier function anlaysis for an amorphous
> system. I have been able to generate the *.nnkp, *.mmn,*.amn,*.eig files and
> when I try to run the final step, I get an error "Error: Problem reading
> eigenvalue file *.eig".  

Ravi,

 As you have num_wann=512 (and haven't set num_bands) then you should have 512 bands, and the *eig file should have 512 lines

eg

1     1     -10.000000
2     1      -9.000000
  .
  .
  .
511   1      27.000200
512   1      27.100000

 Check that it has the right number of lines, and none of the entries are corrupt.


 Jonathan




-- 
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
tel: +44 (0)1865 612797                http://users.ox.ac.uk/~oums0549/