How can I calculate the volume of Ti55 icosahedron?

Total energy, geometry optimization, DFT+U, spin....

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andreichibisov
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Joined: Thu Jan 21, 2010 2:03 am

How can I calculate the volume of Ti55 icosahedron?

Post by andreichibisov » Wed Apr 13, 2011 5:22 am

Hello all!
I study of atomic and electronic structure of Ti clusters. I want to calculate the volume of Ti55 icosahedron. How do it?
Can you help me, please!
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