Firefly and PC GAMESS-related discussion club


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



Re: How to change the default pressure to other values in the Hessian calculaton?

Alex Granovsky
gran@classic.chem.msu.su


Dear Patrick,

See the link below for more information:

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea902bHW-8389-714+00.htm

Kind regards,
Alex Granovsky


On Sat Dec 8 '12 12:48pm, Patrick SK Pang wrote
-----------------------------------------------
>Dear all,

>I want to calculate the thermochemical properties at other pressure values instead of the default pressure (1.01325E+05 PASCAL). How can I change the default pressure to other values in the Hessian calculaton?

>Regards,

>Patrick


[ Previous ] [ Next ] [ Index ]           Wed Dec 19 '12 11:56am
[ Reply ] [ Edit ] [ Delete ]           This message read 736 times