Rayhaneh, I said stupid things in the last message. The mistake I made was that I took SZ for Ga3d with 2 radii. I apologize
The following basis should work.
%block PAO.Basis
Ga 3
n=4 0 2
0.000 0.000
1.000 1.000
n=4 1 2 P 1
0.000 0.000
1.000 1.000
n=3 2 1
0.000
1.000
N 2
n=2 0 2
0.000 0.000
1.000 1.000
n=2 1 2 P 1
0.000 0.000
1.000 1.000
%endblock PAO.Basis
