QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Manish95 on March 5, 2019, 14:27

Title: Algorithm used for calculating DOS and PDOS in ATK
Post by: Manish95 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?

Title: Re: Algorithm used for calculating DOS and PDOS in ATK
Post by: Petr Khomyakov 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.