[molpro-user] TS search - restart capability

[Ol Ga]

Dear MOLPRO users and Developers,


I am running pretty long calculations (TS search) at the
R12-CCSD9(T)/VTZ-R12 level.
Because of the queueing system limitations, I need to use restart capability.
Afterwords the queueing system aborts the job, I see only xml, out and
log files.
Is it enough to restart?
I would ask you please to suggest what input deck should I use to make
TS search with numerical hessian completely restartable (on any stage
- hessian calculation,just after hessian calculation and after several
optimized points)?

I use now:
basis=vtz-f12
{hf
wf,40,1,0}
ccsd(t)-f12,df_basis=avtz/mp2fit,df_basis_exch=vtz/jkfit,\\
ri_basis=vtz-f12/optri
{optg,root=2,gradient=1.d-5,MAXIT=100,method=DIIS}
---

Sincerely,
Oleg