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Author Topic: How to extract the contribution of an atom in the supercell energy band?  (Read 2672 times)

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Offline qiuweicheng

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How to extract the contribution of an atom in the supercell energy band?
« on: March 27, 2017, 12:14 »
Hi, I calculat the energy band of C-Ni supercell. How can I to extract the contribution of C atom in whole energy band by AKT? Could you offer the  relevant  py file please?
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Offline Petr Khomyakov

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Re: How to extract the contribution of an atom in the supercell energy band?
« Reply #1 on: March 27, 2017, 12:31 »
This feature is not available in ATK-2016 or older versions, but it will be available in ATK-2017.
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