Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Alex Granovsky
gran@classic.chem.msu.su

Basis set exchange portal is at:

https://bse.pnl.gov/bse/portal

Note, you should request basis set in GAMESS (US) format
as it is fully compatible with Firefly's format.

You need to consult manual to find out how to provide
basis set manually in the input file.

Regards,
Alex Granovsky


On Tue Feb 14 '12 4:34pm, gensz wrote
-------------------------------------
>On Mon Feb 13 '12, gensz wrote
>------------------------------
>>I'm having a problem with calculating the energy for MP2/6311-G**
>>because this is what it says when i run the input file : ILLEGAL EXTENDED BASIS FUNCTION REQUESTED

>thank you, but i dont know how to use that EMSL basis set exchange...

> what do i do if want to work on 6-311G(3d,2pf) and 6-311G(d,p)?