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Partial and projected DOS?
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Topic: Partial and projected DOS? (Read 4362 times)
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Nayab Shiraz
Heavy QuantumATK user
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Partial and projected DOS?
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on:
April 2, 2020, 19:28 »
I want to know the difference between partial and projected DOS? In DOS analyzer we can select each atom and orbital to show DOS related to that particular atom and/or orbital. Is it the same as partial DOS?
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Daniele Stradi
Supreme QuantumATK Wizard
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Re: Partial and projected DOS?
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Reply #1 on:
April 6, 2020, 07:42 »
Dear Nayab,
there is no tool in QuantumATK producing a 'partial DOS'. Are you referring to the option of calculating projections in the DensityOfStates analysis object, or to something else ? In that case, one can also project on atoms, etc by specifying a projection_list when evaluating the DOS.
https://docs.quantumatk.com/manual/Types/DensityOfStates/DensityOfStates.html
Best,
Daniele
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Partial and projected DOS?