[molpro-user] Linesearch

Satyam Srivastava jayantsrivastava007 at gmail.com
Tue Oct 28 07:16:57 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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