[molpro-user] [idris.fr #2450] Molpro input error (maxiter directive)

[Grant Hill]

Hi Patrick,

On 10 Mar 2009, at 05:37, Patrick Corde wrote:

> One of our users has encountered an input Molpro error about MAXITER  
> directive.
> I am not a specialist of this product, so I contact you to submit  
> this problem.
> It's probably an user's syntax error.

It does appear to be a user syntax error, please try changing:

ccsd(t)
maxiter,50;

to:

ccsd(t),maxit=50

and similar for the second CCSD command.I'm not sure the job will  
still do what the user wants however.

HTH,

Grant