xamain

1. setenv XENVIRONMENT ./Xa
   
2. xamain &

   Both commands are necessary to start the XA application. The first one sets the so called "resource file" whereas the second one executes the program.

   Result
   The XA main window will pop up. To the right you can see the drawing area, currently showing a blank grid, at the top the menu bar and to the left the Orbitals listbox, the Create Orbital option button and the three input fields Alpha, R-Value and RA-Value.

   As you started xamain you have already seen some status information being printed out. This is done constantly by XA to inform you about the currently called procedures or error messages. As long as there are no error windows shown you do not have to pay any attention to these status print-outs.

   

3. Click with your left mouse button on File at the menu bar and then on Open. (Alternatively, you can hold down the Alt key on your keyboard and press the o key.)

   Result
   A file selection box pops up which allows you to browse your directories. In this Guided Tour you are welcomed to use the "atom data file" directory DATA, which was delivered with you XA package, as an example.

4. Select the file [...]/xa/DATA/ALUMINIUM/ALUMINIUM_13 and click on OK.

   Result
   The file selection box disappears and the atom data file ALUMINIUM_13 is read in. The "opening process" is finished when you see the Orbitals listbox being filled with orbital names (sometimes called "orbital strings" in this documentation).

5. Do you want to go on? Then click on this link.