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Author Topic: How to calculate PDOS in ATK?  (Read 3375 times)

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Offline Pancho

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How to calculate PDOS in ATK?
« on: February 16, 2012, 06:22 »
I need to do some calculations about PDOS, but I have no idea of how can I realize it, any one who can help me with that? I need some scripts. By the way, some explanations about PDOS is needed if could supply.
Thanks in advance.
Best wishes.
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Offline Nordland

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Re: How to calculate PDOS in ATK?
« Reply #1 on: February 16, 2012, 08:21 »
If you calculate the density of states, you can projected it onto any subset of atoms or orbitals once it is done.
You can do this in VNL.
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Offline Pancho

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Re: How to calculate PDOS in ATK?
« Reply #2 on: February 19, 2012, 10:16 »
Thanks very much for the reply. But can you tell me the details about how to deal with it in VNL?
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