EPW Forum

Dear experts,

I am working on the transport properties of a bulk perovskite system. I am calculating the mobility of the carrier in the system. But during my calculation after q point step code stop with the following error: Error in routine wigner_seitzkq (1):weights do not add up to nc1*nc2*nc3

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irreducible q point # 8
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Symmetries of small group of q: 4
in addition sym. q -> -q+G:

Number of q in the star = 1
List of q in the star:
1 -0.500000743 -0.366650877 -0.538148847

q( 8 ) = ( -0.5000007 -0.3666509 -0.5381488 )

Writing epmatq on .epb files
The .epb files have been correctly written
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine wigner_seitzkq (1):
weights do not add up to nc1*nc2*nc3
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Please suggest me the solution

Thank You

With regards,
surbhi ramawat