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

rvedula at purdue.edu rvedula at purdue.edu
Tue Aug 3 20:09:58 CEST 2010


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".  

Here is a prototype of my *.win file:

num_wann        : 512
mp_grid :  1 1 1
GAMMA_ONLY= TRUE
begin unit_cell_cart
Bohr
20.3462696658  0.4658349338    0.4934146495
0.4782520316   20.6276377137   0.6310857049
0.5061802357   0.6311540400    20.6318872578
end unit_cell_cart

begin atoms_cart
ang
------------
------------
end atoms_cart


begin projections
random
Si:sp3
N:l=1
end  projections

begin kpoints
0.0 0.0 0.0
end kpoints


Any help with this problem is highly appreciated. Thanks in advance.

Ravi



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