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Author Topic: Algorithm used for calculating DOS and PDOS in ATK  (Read 4101 times)

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Offline Manish95

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Algorithm used for calculating DOS and PDOS in ATK
« on: March 5, 2019, 14:27 »
Does ATK use Wang and Landau algorithm for calculating DOS? How does Tetrahedron method calculate DOS? Can someone refer me to some article or book where i can read about the associated theory?
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Offline Petr Khomyakov

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Re: Algorithm used for calculating DOS and PDOS in ATK
« Reply #1 on: March 6, 2019, 09:41 »
Please take a look at the manual page and reference therein, https://docs.quantumatk.com/manual/Types/DensityOfStates/DensityOfStates.html. In general, you may do searching in our docs, https://docs.quantumatk.com, using keywords.
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