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

Dawid das addiw7 at googlemail.com
Wed Sep 23 15:08:55 BST 2015

Dear molpro experts,

I have following issue when I try to perform calculations using ROOS basis

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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