[Wien] Charge of each atom within a unit cell

Cara Watson carawat at gmail.com
Wed Nov 7 19:00:23 CET 2007


Dear Wien2k users,

I tried to find information on charges of each atom within a unit cell
from the wien2k output files, but I didn't succeed, could you please
help me with that?
The charges, I mean, for example, in NaCl, ideally each Na will have
charge +1, while Cl will have charge -1. So is there any file in which
I can find such information for my other calculated structures? Thanks
a lot!

Best,
Cara


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