Symmetry In the DIRAC interface to MRCC

Dear Kallay,
First I set C2v symm In the DIRAC. Then I want to get three states of B2 symmetry of Ne using MRCC, I set
nstate=3
symm=3
But, The program will go wrong(Invalid number of roots!).
Attachments is DIRAC and MRCC input files.

Dear Gaodongdong,
In your calculations you used the Dirac-Coulomb Hamiltonian, and consequently double group symmetry. was employed, so symm can only take the values of 1 or 2.

Dear Kallay,
I found:
If I set C2v symm in DIRAC, I can only take the values of 1 or 2 in MRCC.
If I set D2h symm in DIRAC, I can only take the values of 1,2,3 or 4 in MRCC.
I really want to know the relationship between symm in DIRAC and symm in MRCC or the symm in Dirac are the same as in MRCC when I used the Dirac-Coulomb Hamiltonian. Which irreducible representation do 1 and 2 represent respectively?

Dear Kallay,
I found:
If I set C2v symm in DIRAC, I can only take the values of 1 or 2 in MRCC.
If I set D2h symm in DIRAC, I can only take the values of 1,2,3 or 4 in MRCC.
I really want to know the relationship between symm in DIRAC and symm in MRCC or the symm in Dirac are the same as in MRCC when I used the Dirac-Coulomb Hamiltonian. Which irreducible representation do 1 and 2 represent respectively?

Dear Gaodongdong,
Sorry I misled you. You should specify the largest Abelian group in the .mol file, not the largest Abelian double group, and Dirac will automatically select the largest Abelian double group. That is, for an atom you should set D_2h in the .mol file.
In your calculations you had 2 and 4 irreps since the largest Abelian double groups, C₂^* and C_2h^*, were selected for the groups C_2v and D_2h, respectively.