PC GAMESS/Firefly-related discussion club

Learn how to ask questions correctly

Dominic P. Guaņa
organicchemistry_01@yahoo.com.ph

$BASIS EXTFIL=.T. $END

This will set Firefly to look for an external file containing the basis set.

$BASIS EXTFIL=.T. GBASIS=/basis name/ $END

THis will set Firefly to look for those atoms having a basis set called /basis name/.

Ex.
OXYGEN /basis name/
here will be the basis se
HYDROGEN /basis name/

...you could get this from the puch file of Firefly.

and last lastly please set the Firefly to look for a locatioin having the basis set file

- b location

before runing Firefly

please see the Tutorials.




On Thu Nov 5 '09 5:05pm, Dmitry Ryndyk wrote
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>Is it possible to set different basis sets with polarization and diffusive functions for different atoms?