VNL.EXE STOP working when i want to see the PDOS OF DEVICE

[njuxyh]

HI,
I USE THE atk-2016, when I open the D(E), the VNL says the VNL.EXE will stop, the window will shut up the exe...., my system is WIN10.
has anyone face the same problem?

[Jess Wellendorff]

Could you attache the NC file containing the D(E) analysis object, and a screenshot of the error? Thanks.

[njuxyh]

the NC file is large, about 100M, so I can not attach here, the screenshot is Chinese:)

[Jess Wellendorff]

Perhaps you can extract the DOS and save it to a new NC file, which will be much smaller in size. Example of reading the DOS from file "silicon.nc" and saving the DOS to a new file "dos.nc":

Code

dos = nlread('silicon.nc', DensityOfStates)[-1]
nlsave('dos.nc', dos)

[njuxyh]

THANK YOU,

i am very sorry i am not very familiar with python
would you please let me know how to write a complete small *.py file to extract the PDDOS from a existing *.nc ？
thank you for your kindly help

[Jess Wellendorff]

I guess you have done a device calculation and computed the ProjectedLocalDensityOfStates for the device. All you need to do is to load the PLDOS object from the saved NC file, and then save that ATK Python analysis object in a new NC file, see attached script.