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MAXIMUM ALLOWED FORCE (FMAXT) = 10.000

guilherme
guycanella@gmail.com


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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