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Re^2: MAXIMUM ALLOWED FORCE (FMAXT) = 10.000

guilherme
guycanella@gmail.com

Do I put "FMAXT=.f."  ?


---------------------------------------------
>Hi,

>you can specify non-default FMAXT in the $STATPT input group.
>The default value of FMAXT is 10.0

>Kind regards,
>Alex Granovsky
>
>
>
>
>On Sat Dec 7 '13 2:30am, guilherme wrote
>----------------------------------------
>>Well guys, I have a little problem:

>>>OPTIMIZATION ABORTED.
>>>    -- GRADIENT OUT OF RANGE
>>>    -- MAXIMUM ALLOWED FORCE (FMAXT) =   10.000

>>and yes, I've already added the keyword

>>$statpt DXMAX=0.1 TRUPD=.f. $end

>>but the error persists. Could anyone help me?

>>My input is:

>> $contrl runtyp=optimize coord=zmt nzvar= 183 $end
>> $basis  gbasis=N31 ngauss=6 $end
>> $statpt dxmax=0.1 trupd=.f. $end
>> $statpt opttol=1d-5 nstep=1000 ifreez(1)=6 $end
>> $data

>>Thank you!

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