[Wien] virtual crystal approximation

[Meng, Qingping]

Dear all,
I want to do virtual crystal calculation. I change Fe's Z to 26.2. I also change case.inst to:
Fe
Ar 3
3, 2, 2.0 N
3, 2, 2.0 N
3, -3, 2.5 N
3, -3, 0.0 N
4, -1, 1.0 N
4, -1, 0.7 N
I checked the Mail Archive. Someone said I also need change NE in case.in2. I do not know how to change it, and why I need change NE. I also do not know NE's means. Could you tell me. Thank you.
Best,
Qingping Meng
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150115/1bf0dd5f/attachment.html>