QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Nayab Shiraz on April 2, 2020, 19:28

Title: Partial and projected DOS?
Post by: Nayab Shiraz 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?

Title: Re: Partial and projected DOS?
Post by: Daniele Stradi 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