[QE-users] Spatial dependency of the wave functions for the spin-orbit coupling calculation

[Alireza Shabani]

Dear QE users,
I am going to calculate the spatial dependency of the wave function from the output HDF5 files from QE (for one specific k-point, such as Gamma). I know that the number 'evc' should be twice the 'Miller Indices' because it includes real and imaginary coefficients in the wave function: psi = sigma (C_real + i C_imag) * exp(iG.r).
Everything looks fine, and I can calculate the wave function in a normal DFT calculation (I mean without spin-orbit coupling!!). But, when I use spin-orbit coupling, the number of 'evc' in the final .hdf5 file becomes four times the 'Miller Indices.' For instance, if I have 100 'Miller Indices, ' I will have 400 'evc' which is a bit confusing. Does anybody know how we can interpret it?
Thank you for your suggestions.

Kind regards,
Alireza Shabani
Postdoc researcher,
Denmark Technical University
Copenhagen, Denmark

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