Helpful Hints and Other Stuff

On this page is a list of FAQ's associated with installing the AIMPAC suite of programs for use. This page should hopefully help you with any problems you might have. You can also find all manner of information obtained from AIM research. Take a look!

The AIMPAC programs work very nicely with Hartree-Fock wavefunctions. However, if one wants to employ correlation theories, such as MP2 or the like, make sure of the following:

For Gaussian94, include in the command line of the input file,OUTPUT=WFN (tells Gaussian to generate a wavefunction file readable by the AIMPAC programs; be sure to put filename.wfn at the end of the input file), and DENSITY=CURRENT, which will generate the desired correlated wavefunction.

For GAMESS, include in the $CTRL section of the input file, AIMPAC = .TRUE. (this generates the desired wavefunction file) and in the $MP2 section, MP2PRP=.TRUE. (this ensures that an MP2 wavefunction is generated).

If this is not done, the resulting wavefunction generated will be a Hartree-Fock wavefunction, and not a correlated wavefunction.

Also, take a look at a related document, that includes some other important information about using Gaussian94.

This page is under constant construction. We want your input! Especially with how you may have installed the programs on unusual or obscure systems. The sourcecode provided is ANSI compatible, but sometimes a problem can develop. Let us know how you got our programs to work on your system, and get your 15 minutes of fame!

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