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Author Topic: Total Energy Interpretation? Total Energy per Unit Cell or per Atom or per bulk.  (Read 7800 times)

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Offline Ash

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Total Energy Interpretation? Total Energy per Unit Cell or per Atom or per bulk.
« on: May 22, 2012, 18:54 »
Hi everyone,

Can someone please explain me the interpretation of 'Total Energy' ? Is it the total energy per Unit Cell or per atom or per whole bulk repeated infinitely as unit cell does ?
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Offline Nordland

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Re: Total Energy Interpretation? Total Energy per Unit Cell or per Atom or per bulk.
« Reply #1 on: May 22, 2012, 22:03 »
It is the per unit cell. So if you repeat the system 2x2x2 you will get 8 times the energy.
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Offline Ash

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Re: Total Energy Interpretation? Total Energy per Unit Cell or per Atom or per bulk.
« Reply #2 on: May 23, 2012, 05:14 »
Thanks !! That's what I was about to ask next  :D
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