[molpro-user] Fwd: Linesearch
Satyam Srivastava
jayantsrivastava007 at gmail.com
Tue Oct 28 09:58:18 GMT 2014
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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