Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly

Re: How to restart the SCF calculation? Input file example and command line example

sanya
sanya@photonics.ru

Just copy $VEC group from the PUNCH file of the previous run to the end of your new input file (it may be rather large!).

On Wed Feb 3 '10 7:09pm, Patrick SK Pang wrote
----------------------------------------------
>Dear all,

>Based on the manual, GUESS=MOREAD is used for restarting the SCF calculation. However, no examples for input files and command line are available. Could anyone give me suggestions?

>Regards,

>Patrick

[ Previous ] [ Next ] [ Index ]           Thu Feb 4 '10 1:45am
[ Reply ] [ Edit ] [ Delete ]           This message read 883 times