[Wien] Why NN program couldn't work for over 16 atoms in a unit cell

[xn22 at drexel.edu]

Dear WIEN users:

I encountered problem for a unit cell more than 16 atoms when I ran NN.
The case.outputnn couldn't complete to read all atom coordinates. I didn't
compiled program by myself but just used excutable code from WIEN2k. I checked
the source code of nn.f. Looks like it can acommodate 64 atoms in a unit cell.
I think there is no any input files error since the NN ran very well when I reduced atoms to 16 for the same file. but the case.outputnn couldn't complete if I just increase one atom in case.str file. I attached case.in(it is not correct since I just want to know the NN output) and case.str files for your checking. 

Thanks in advance for any feedback.

Xiliang Nie


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