My Community

Hi, I have a question about P%PSPRNL and P%WPS in the POTCAR. As far as I understand, the dot product between projector function p~ and partial wave phi~ should be delta function. So the radial integration between P%PSPRNL and P%WPS with same angular momentum should be a delta function, too. I checked it numerically for pawpot for carbon, ans it gives me some value, for instance, around 2., 50. I do notice that the RMAX for WPS and PSPRNL is different(should have same unit?). Am I wrong conceptually? x)

Just find the answer by myself. PSPRNL is given as R_l(r) instead of rR_l(r). Thanks.