How to calculate Bloch Spectral Functions (BSF) of disordered systems such as Co2Fe(Ga0.5Ge0.5) (CFGG) using GGA+U method in SPRKKR code?

11 September 2019 0 9K Report

In SPRKKR, we cannot calculate the bandstructure directly from disordered system, but BSF is still possible. However, without U, I still can calculate the BSF in disordered system like CFGG. Actually I want to check dependence of BSF on U value, but everytime I include U value, the numerical data showed NaN (indefinite value) then I cannot plot it. Any insight? Thank you in advance.

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