Hello<br><br>I wanted to plot the 3D shape of an eigenstate at certain k point and certain band value. I used pp.x with 'plot_num=7' which plots the square of the eigenstate and the result was very nice (I used XCRYSDEN), but it is difficult for me to distinguish between the contribution of different atomic orbitals (s, p, d). I see that the executable projwfc.x does project the eigenstates onto localized atomic orbitals and calculate quantities such as Lowding charges, spilling parameter or projected DOS. I was wondering if there is an option in quantum-espresso to plot the contribution of these atomic orbitals in 3D (at certain k point and certain band value) in the way that pp.x plots the entire eigenstate. I couldnt find the answer neither in the forum nor in the Documentation of the package, so I would really appreciate if anyone knows if it is or not possible, thank you in advance,<br>
<br>Julen Ibaņez <br><br>University of the Basque Country<br>