[QE-users] Reconstruction problem in hp.x :Error in routine reconstruct_full_chi (1)

[Bezzaoui Iman]

I’m using DFT+U+V calculation, to calculate the U_Hubbard parameter and
V_Hubbard parameter.

I relaxed the symmetry slab of 34 atoms then I'm running SCF calculation
but when I’m running in hp.x I find this :

Missing chi element for: na=    32  nb=    19  dist=   6.103609





     Missing chi element for: na=    32  nb=    22  dist=   6.154417





     Missing chi element for: na=    32  nb=    34  dist=   9.335406





     Missing chi element for: na=    34  nb=    20  dist=   8.721532





     Missing chi element for: na=    34  nb=    23  dist=  10.355784





     Missing chi element for: na=    34  nb=    24  dist=  10.355784





     Missing chi element for: na=    34  nb=    30  dist=   9.947637





     Missing chi element for: na=    34  nb=    32  dist=   9.335406





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     Error in routine reconstruct_full_chi (1):

     Reconstruction problem: some chi were not found

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