This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • atomic-data.tar.gz: There are 3 types of text files in the archive: Z.input, Z.out and Z.wave_fun.dat, where Z is the nuclear charge of an atom. Z.input contains the input data. Z.out contains the standard output including the total energies and orbital energies. Z.wave_fun.dat contains the radial parts of all calculated orbitals. The shell occupancies are defined in Z.input and also printed in Z.out.