Dear Paolo: I am wondering about the definition of the projector function output in the "file_beta" file produced by LD1. Is it defined as the TRUE beta function multiplied by r ? (Just like the AE and PS radial wavefunctions output in ld1.wfc and ld1ps.wfc are actually the TRUE radial wavefunctions multiplied by r. )
I guess this is the case, because the true projector function needs to satisfy < projector_i | \phi^PS_j > = \delta_ij. where \phi^PS_j is the PS partial wave. I checked with the output of "file_beta" (\beta_i ), and ld1ps.wfc (\phi^PS_j), and I found the following is true: \int (\beta_i / r ) * (\phi^PS_i / r ) * r^2 dr = 1 Am I right about the output in the "file_beta" file? Thank you very much for your kind clarification and help! Wei Chen Email: weic at princeton.edu Princeton University
