[molpro-user] Fwd: Linesearch

Andy May MayAJ1 at cardiff.ac.uk
Tue Oct 28 16:27:27 GMT 2014


Satyam,

I don't see this error when I try, which version of Molpro are you 
using? Can you attach the complete output file?

Best wishes,

Andy

On 28/10/14 09:58, Satyam Srivastava wrote:
>
>
>
> Hi molpro users,
> I am trying linesearch in order to interpolate geometry ........I am
> getting following error.
>
>
>
> Here is my input.....
>   ***,h2o.inp
>   basis=6-31g*
>   symmetry,nosym
>   angstrom
>   geometry={o;h,1,r;h,1,r,2,theta}
>   r=0.92
>   theta=179.999999
>   hf
>   {optg;LINESEARCH}
>
> --------------------
> outout
>   A part of my output
>   Unknown directive LINESEARCH for command OPTG
>
>      1 input errors found
>
>   ? Error
>   ? Input errors!
>   ? The problem occurs in check_input
>
>
> Your's
> Satyam Ravi
>
>
>
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