Dear all
I have to ask my question with more details. I need the expansion of KS wave functions in the plane-wave basis φ_nk (r) = Σ C_nk(G) exp[ i(k+G).r] The sum is over a special set of k vectors and energy bands. I want the C_nk(G) coefficients, when SOC is considered in our calculations. Before (without SOC), I could obtain these coefficients with pw2casino flag that it was written in prefix.pwfn.dat file. Then I could use them as input in my own code. Best, Eliya Eliya Asmani, Postdoctoral Researcher School of Physics, Institute for Research in Fundamental Sciences (IPM) Tehran, Iran
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