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General Questions and Answers / error in calculation of DOS

« on: July 4, 2014, 16:06 »

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