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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