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Author Topic: Total Energy Interpretation? Total Energy per Unit Cell or per Atom or per bulk.  (Read 350 times)
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Ash
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« 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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Nordland
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« 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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Ash
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« Reply #2 on: May 23, 2012, 05:14 »

Thanks !! That's what I was about to ask next  Cheesy
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