HELP

[dwh]

Dear everyone! I ususlly come to the problem when I use the ATK software to calculate the system (including 80 atoms )DOS and band structure. The result shows:
The full error message is
This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more information
and although it can, in principle, mean different thing, most likely the calculation has requested more memory than is available on the computer.

This may be the momery problem. How to reduce the cost of memory? Or how can I deal with this problem?
In addition to ,this problem did not appear when I calculate the relativily small system (including 10~20 atoms)
I am looking forward to your reply,thanks.

[zh]

As shown in the error message, your problem may be caused by insufficient memory.  You can run your job in a parallel manner. 

To reduce the memory, one usually has to sacrifice the accuracy by using the smaller size of k-pint mesh, mesh cutoff, or basis set.

[dwh]

Thank you for your reply, I have another question that I calculate the DOS of the molecular or bulk (not device). How can I modulate the value of the "none" at the "bands_above_fermi_level=None" indicated by ren arrow in the following figure.

[zh]

Of course, you can do it. Usually one has to specify a positive integer number to "bands_above_fermi_level". Otherwise, you can will get the DOS just below the Fermi level.

[Nordland]

If the value is None, it includes any band it can find above the fermi level, so None is this case interpreted as infinity