A trap region is reached in QSD

[Jorge Luis LLanio Trujillo]

Hello!!

What follows comes from a current Molpro(Version 98.1) run, where
a TS is being searched using:

optg;root,2
method,QSD,NUMHES,1,1
OPTION,IDIR=0




----------------------------------------------------------------------------
Quadratic Steepest Descent -  Transition State Search

In QSD: Caution, approaching trap region, itrap = 3

In QSD: Recalculating Hessian.

In QSD: A trap region is reached: Choose another initial point

------------------------------------------------------------------------------


Should i stop the geometry optimization right now and "Choose another
initial point"? or this is an internal and i can sit, wait and hope ?


Thanks in advance,
                    Jorge
                 (Ph.D. student)