CCL: restart option in Gaussian 09w

[Wojciech Kolodziejczyk <dziecial[A]icnanotox.org>]

Try add keywords
# guess=read geom=checkpoint
but you have to remove all cartesians or z-matrix from file before run.
W.

17 gru 2015 18:37, "Partha Sengupta anapspsmo:-:gmail.com" <owner-chemistry a ccl.net> napisał(a):

Friends, I tried to complete a OPT=QST3 calculation but it failed for break in power supply.

How can I use the restart option?

%rwf=myrwf2b3lyp
%chk=2b3lypTrans State 15 anthra.chk
%mem=1500mb
#b3lyp/6-31g(d) opt=(qst3 calcfc)
0 1

 molecule specification

.....
--Link1--
%rwf=myrwf2b3lyp
%chk=2b3lypTrans State 15 anthra.chk
%nosave
%mem=1500mb
#restart
#b3lyp/6-31g(d) opt=(qst3 calcfc)

0 1

Partha

--

Dr. Partha Sarathi Sengupta
Associate Professor
Vivekananda Mahavidyalaya, Burdwan