Firefly and PC GAMESS-related discussion club

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

Restarting Hessian calculation for optimized geometry..

Siddheshwar Chopra

Dear All,
I have checked the earlier discussions too about this. But I still have some doubts. I have the optimized geometry. I just need to restart the incomplete hessian run. For that I have extracted the $VIB and $VEC both from the IRCDATA and PUNCH files. Then I have added $VIB and $VEC both to the input file and terminated well with $END. And also I added $GUESS GUESS=MOREAD $END.

Is it all that I need to do? Or am I missing something? IS there any message which will tell that it is a rerun of hessian calculation?
Any suggestion on this is welcomed.

Kind Regards,

[ Previous ] [ Next ] [ Index ]           Tue Mar 22 '16 2:03pm
[ Reply ] [ Edit ] [ Delete ]           This message read 551 times