How can we obtain DOS of some disordered system (e.g. Co0.5Fe0.5 bcc) along a particular high symmetry direction (say G-H) using sprkkr?

19 February 2020 1 4K Report

Hi, I want to calculate DOS of a disordered system (say Co0.5Fe0.5 bcc) along Gamma- H direction using sprkkr? Can anybody help me ?

Using sprkkr can we obtain orbital resolved (s, px, py, pz, dz2 etc) DOS?

Muhammad irfan Sarwar

DOS of a disorder system could be found by using Greens function analysis, First learn how a spectral density function can be written in terms of A(w) for a free system. Then find the green function in the presence of impurities. Once you find the green function of impurities or any model of disorder system , by using this retarded green function you can find DOS

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