The matarix of Kohn-Sham orbitial overlaps is not a square matrix

[miller]

I'm following the notebooks/Example9_NAMD and everything is running smoothly. Until step3 there is a warning:

The warning is: the matarix of Kohn-Sham orbitial overlaps is not a square matrix.

How can I deal with this problem? Thanks.

[miller]

I may find a problem with the output data of the program, that is, according to the process, there is only E_dia_ks_*_re files in the res folder, but no  E_dia_ks_*_im data. I don't know if the warning is because of this problem.