[molpro-user] No default basis roos1 for atom C.

[Kirk Peterson]

Dear Dawid,

I’ve tried  basis=roos  and it works fine for me. What version of Molpro are you running?

best,

-Kirk

> On Sep 23, 2015, at 7:08 AM, Dawid das <addiw7 at googlemail.com> wrote:
> 
> Dear molpro experts,
> 
> I have following issue when I try to perform calculations using ROOS basis set:
> 
> 
> Cannot find default basis ROOS1 for atom C
> 
> My system consists of hydrogens, nitrogen and carbons.
> In my lib/defbas file, there is ROOS basis set and there is also roos1.libmol file containing
> basis set for carbon atom.
> 
> I have tried
> basis=roos
> basis=roos1
> basis=roos-vdzp
> 
> in my input file, but still I get similar error.
> 
> Best wishes,
> 
> Dawid
> 
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