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About the tutorial

Welcome to the PAW tutorial. It basically documents the steps which I followed while attempting to learn the usage of the features of the program. This includes problems that one might expect to encounter, possible solutions, and all of the relevant input and output. We start with studying a simple molecule, something not too cumbersome so that the calculations are relatively quick, and explore some of the things that one might want to do with this system. The methodology is to begin in a minimalist manner and then add the necessary extra features sequentially, so that we learn how they impact the calculations.


I am writing this while using the tcsh interaction shell. If you prefer to use a different unix shell, like ksh or bash, you may have to translate some of the commands into your native shell language (actually, the author of the PAW method prefers to use ksh, so you may notice that all of the program scripts are written for that shell). I also assume that you have a little bit of unix experience. If you are new to unix, you may still be alright, but it's best to become familiar with some basic unix commands before you continue.


In addition, you should know how to create and edit files with your favorite unix text editor (I use emacs for major changes and vi for quick changes).


Finally, there is always more than one way to do something. If, during the tutorial, you find that you prefer to do something differently than I (like run the executable with your own shell script or study a different system), please feel free to do so. This is just an introduction to some of the features of the PAW program and how to use them, from one individual's perspective. That said, let's begin.


next up previous contents
Next: Setup Your Environment Up: Tutorial for the Projector Previous: Contents
Wun Chiou
2000-03-30