[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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