PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

Yet another option - one can create external basis set file containing
also ECPs, and use a script for input file generation. There is one in
Downloads page of PC GAMESS site.

> Another way, if nobody has told you, is to use the handy include (@) form of
> input, which also requires you make your own external basis/ecp files - see
> the input preprocessing example in the readme file section.
>
> Actually, on the subject of specifying ecps, a small query for the developers:
> how difficult can it be to modify the logic of the parser (or whatever it is
> that interprets GAMESS-US style input files) so that one only has to list ecps
> for the elements that require them, rather than all the atoms (and in the
> right order). A minor thing I know, but it would make inputs simpler for large
> molecules.
>
> Richard
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