ABINIT Discussion Forums

I have computed a real-space wave function for a crystalline semiconductor using PAW method. How are the stored in nc-file wave functions normalized by default (the maximal amplitude is about identity)?

I have a real-space wave function computed by PAW method and stored in .nc file. The corresponding matrix is defined on the uniform grid related to the primitive cell. Is there any way I can save a wave function in the frame of unit cell (compute for unit cell, not for the primitive one).

Is there any way to extract values of two-electron repulsion integrals for STO basis sets?