Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Alex Granovsky
gran@classic.chem.msu.su

The types of relaxed and non-relaxed scans you have mentioned
are already routinely available in Firefly; both in DLCs and
using plain Z-matrix. Perhaps, this is just poorly documented
in manuals. You can find more information here:

http://classic.chem.msu.su/gran/gamess/scan.html


Kind regards,
Alex Granovsky

On Tue Apr 19 '11


On Wed Apr 13 '11 5:17pm, B. Koa wrote
--------------------------------------
>Dear Dr. Granovsky

>Linear dependency of basis sets make some difficulties and Users must change the basis sets in these cases. A magic remedy except changing the basis sets will ease our works. Also, only "distance" scan is available at present and including an option for scanning "angles" will be great and useful.    

>I appreciate Firefly group for all the help they gave us.

>Sincerely Yours
>B. Koa