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Alex Granovsky
gran@classic.chem.msu.su

this is not the valid input for IRC restart.

You must locate the latest " * * * IRC RESTART INFORMATION * * *"
string in your output, update atomic coordinates, extract the
$irc group and put it into input file (you need to replace NPOINT=??
by the number you want), and for GS2, you need to add the latest
$hess group found in the punch file to the input as well.

regards,
Alex Granovsky





On Tue Aug 10 '10 7:19pm, Gomathi wrote
---------------------------------------
>$CONTRL   RUNTYP=IRC   COORD=CART   MAXIT=200        $END                      
> $SYSTEM   TIMLIM=600   MEMORY=70000000                        $END            
> $BASIS    GBASIS=N31   NGAUSS=6   NDFUNC=1  NPFUNC=1          $END            
> $STATPT   NSTEP=300    HESS=RDALL  HSSEND=.T.                 $END            
> $SCF      DAMP=.T.     SOSCF=.T.                              $END            
> $IRC      PACE=GS2     MXOPT=200   STRIDE=0.1  SADDLE=.T.     $END            
> $IRC      NPOINT=200    FORWRD=.T.                           $END          
> $DATA

>this is my input.                                                                

>On Wed Aug 4 '10 6:02pm, Alex Granovsky wrote
>---------------------------------------------
>>Hi,

>>could you please attach your input file (compressed), to allow us to check what is wrong with your input?

>>regards,
>>Alex Granovsky

>>On Fri Jul 30 '10 5:54pm, Gomathi wrote
>>---------------------------------------
>>>Hi

>>>i had run a hessian irc, due to power shut down i stopped the program.
>>>in previous runs i restart my hessian calculation.
>>>but now i can't able to do the same.

>>>i get the restart information from irc1 and respective $HESS FROM PUNCH file,
>>>now it is not working,
>>>give me suggestions please.

>>>thank you in advance

>>>gomathi.