This program solves the Dirac equation for an electron in a central potential which represents the nuclear potential and the self- consistent field of the many electron system within density functional theory.

Pick at least one of your favorite atoms from the periodic table and run the computer program relatom , comparing relativistic and non-relativistic results to determine:

1. A plot of the radial electron density for that atom.
2. A plot of the upper component and lower component radial wavefunctions (G(r)) and (F(r)) (labeling the curves -- 1s1/2, 2s1/2,... 2p1/2, 2p3/2... etc.)
3. A list of the total energy and the one-electron eigenvalues for the ground state and at least one excited or ionic state.

• In order to run this program, it will be helpful to type:
  

  set path= ( $path /users/faculty/phy/natalie/www-home/s99phy742/computer_programs/dirac/ . )

  This will enable you to access these programs from your home directory by simply typing the program name relatom .
• In order to run the plotting programs you will need to make sure that your path also includes the directory: /users/faculty/phylib/bin/
• Also for plotting, make sure that you have activated x-windows and that you set the parameters: setenv DISPLAY 152.17.xxx.xxx:0 where the xxx's refer to your local IP address, which can be determined from the windows program --C:\WINDOWS\winipcfg.exe.
• Detailed information about relatom program.