Dear's QE users I have a question about the calculation of atomic states with DFT. I don't understand the spherical aproximation of density when the atomic levels are partially filled. I looked the "Notes on pseudopotential generation (Paolo Giannozzi)", Martin book's, and Kohanoff book's, but did not found the explanation of this aproximation. Someone could help me with an explanation or a reference.
On other hand I built my pseudopotential using the ld1.x code but I don't know how this code work. Please someone could give me this information with a reference or a explanation. Best Regards. Robert Guzman. Centro Atomico Bariloche Phd. Student. I apologize for my poor english _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
