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Author Topic: Finite-Size Supercell Correction  (Read 3070 times)

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Offline Dipankar Saha

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Finite-Size Supercell Correction
« on: June 8, 2016, 12:17 »
Hi,
What are the measures must be  taken to incorporate "Finite-Size Supercell Correction"  ?!!

Thanks & Regards_
Dipankar
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Offline zh

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Re: Finite-Size Supercell Correction
« Reply #1 on: June 9, 2016, 02:35 »
When you calculate the formation energy of charged defect in an ionic system by using a periodic superll model, the finite-size supercell correction should be taken into account.
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Offline Dipankar Saha

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Re: Finite-Size Supercell Correction
« Reply #2 on: June 9, 2016, 15:44 »
Thank you.... :)
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