[molpro-user] No default basis roos1 for atom C.
grant.hill at sheffield.ac.uk
Wed Sep 23 17:05:17 BST 2015
Which version of Molpro are you using? With 2012.1 and using a basis block of
A basis is loaded for my test system containing C, N and H.
> On 23 Sep 2015, at 15:08, 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
> in my input file, but still I get similar error.
> Best wishes,
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