Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re: Is CAMB3LYP and WB97XD implemented

Alex Granovsky
gran@classic.chem.msu.su


Dear Kaushik Hatua,

there are currently no plans to implement range-separated functionals.

Kind regards,
Alex Granovsky





On Thu Aug 14 '14 7:17am, kaushik hatua wrote
---------------------------------------------
>Dear all users
>In the recent manual i dont find the implementation long range corrected DFT functionals like CAMB3LYP or LC scheme of pure functionals like LC-BLYP or others. I think WB97XD and other functional which have proven good for weak interactions need to be implemented.  


[ Previous ] [ Next ] [ Index ]           Thu Aug 14 '14 7:29pm
[ Reply ] [ Edit ] [ Delete ]           This message read 996 times