Dear All,
I have a short question. Waht is the proper option(s) to be present in the control file
for the previously calculated hessian to be used during transition state search.
Is it enough to have $hessian in the control file? What will happen if there
are in addition to $hessian file=hessian also:
$forceinit on
diag=default
$forceapprox file=forceapprox
$hessapprox file=hessapprox
specified. Well I suspect that in this case the exact (calculated) hessian will
be not used, given in the first step of transition state search there is the
message:
Approximate Hessian read from $hessapprox data section
Many thanks!
Best regards,
Evgeniy
