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- Sun May 09, 2010 5:30 am
- Forum: Bader
- Topic: weird charge density result was got from siesta
- Replies: 3
- Views: 14548
Re: weird charge density result was got from siesta
I also got some trouble when I try to calculate the charge density for small clusters. The atomic volume of each metal atom seem to differ a lot. Look at the atomic volume of your first and second Au atom, they are 164092.7937 and 6258.5757, what caused this huge difference? I got similar results wi...