Hello all,

I am trying to get the band structure of a 3x3 phosphorene sheet. In nscf calculation part , I get message written in "out" file which says:

"Band Structure Calculation

Davidson diagonalization with overlap

c_bands: 2 eigenvalues not converged

c_bands: 1 eigenvalues not converged

c_bands: 1 eigenvalues not converged

.

.

c_bands: 1 eigenvalues not converged"

I want to know the reason of this message. This message wont come when I tried the same calculation for unit cell.

I am also attaching the out file. Please have a look and if there is any suggestion please let me know.

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