Program den

This program takes the single-center expanded orbitals and computes the electron density, using the orbital occupations in the potential formula.

Input data records

  1. iuang, iugrd, iuanrd, iuxorb, iuden
  2. iprnfg
  3. Data record in the format of the data record OrbDegn.
  4. Data record in the format of the data record EngForm.

Definition of the input variables

iuang
input unit with angular grid information.
iugrd
input unit with radial grid information.
iuanrd
input unit with information about l cutoff regions.
iuxorb
input unit with expanded orbitals.
iuden
output unit with electron density.
iprnfg
integer, print flag.