[Wien] (no subject)

[Christopher Steer]

Hi,

I'm a bit of a newbie when it comes to using Wien2k and have the following problem. I'd like to extract the wavefunction in reciprocal space with the final aim of finding a Compton profile. 

After doing a bit of maths, I think it can be shown that if the wavefunction in real-space is separable then so is the momentum-space wavefunction. So to solve this problem I need to know the radial part of the wavefunction for each quantum number l and m. The momentum-space angular part is related to a spherical harmonic and defined by the quantum numbers l and m, so it can be calculated analytically. Please could someone show me how to extract the radial part of the real-space wavefunction from Wien2k for various l and m?

Any input would be greatly appreciated and thank you in advance. 

Kind regards,
Chris.