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.