CP-corrected DBOC using Psi4/CFour

1

Dear All,

I would like to perform counterpoise-corrected DBOC computations at the CCSD level, using psi4-1.9.1. For this purpose, I wrote the following input:

molecule dimer {
   0 1
   N        1.608094757     -0.561155368      0.000000000
   N        2.389700473      0.210989439      0.000000000
--
   0 1
   N       -2.389700473     -0.210989439      0.000000000
   N       -1.608094757      0.561155368      0.000000000
}

set globals {
   cfour_dboc on
   basis cc-pvdz
   d_convergence 11
}

e_cp = energy('c4-ccsd',bsse_type='cp', return_total_data=True)

When I tried to run this input, I received a segmentation fault, without any further information.

If I replace c4-ccsd with c4-hf, then there occurs another segmentation fault, which is more verbose than the previous one:

QcdbException: Psi4/Cfour gradients with ghost atoms no longer supported. Use QCEngine or QCDB where they are.

There is a simple warning, as well:

Using qcdb.align.B787instead ofqcelemental.molutil.B787 is deprecated, and as soon as 1.5 it will stop working

Could you please help me how to modify this input for a successful execution?

Thank you in advance for your help.