error in calculation of DOS

[priya_gupta]

i have calculated bandgap and DOS for graphene sheet with one carbon atom replaced with nitrogen. i am using 1x10x10 k-point for. i am getting the same error which is-

" Traceback (most recent call last):
  File "c:\users\user\appdata\local\temp\8712343039205292.py", line 133, in <module>
    bands_above_fermi_level=None,
  File ".\zipdir\NL\Analysis\DensityOfStates.py", line 90, in __init__
  File ".\zipdir\NL\Analysis\DensityOfStates.py", line 641, in calculateDensityOfStates
MemoryError

[Anders Blom]

Such an old version of ATK 11.2 is not supported any more. But from the looks of it, your simulation appears to have exceeded the capabilities of your computer (i.e. you ran out of memory).