XA Online Documentation, XA Features "How do I start XA"
How do I start XA
XA is the name of the program you need to create Slater type orbitals, show the
resulting graphs and to validate the found data. Before you start XA please make
sure that your data is already stored as atomic data files as mentioned
in section "How do I read in RHF table files?". Also
please check the following points:
Does the executable file "xamain" exist in your XA directory?
Xamain is the main program of the XA environment. If you cannot find
xamain in your directory, type make xamain to create the
file.
Is the environment variable XENVIRONMENT set to Xa?
Xa contains the so called "resource information" for the XA program. If
you want to change the colour of the XA applications or the different output
texts then just change these in the Xa file. Therefore Xa is necessary
for the execution of xamain, so type echo $XENVIRONMENT to
view the content of the XENVIRONMENT variable. If this does not mention Xa then
type setenv XENVIRONMENT ./Xa.
Now you can start XA with the command ./xamain. A
window will pop up and present you the XA
graphical user interface with the a status part to the left and the drawing
part to the right. While working with XA the application will constantly write
output to the shell window where you started xamain. If you like to save this
output into a file, then enter ./xamain 2> <your-file>.
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Reinhard Schaffner, © 1995-05-16