EOM-CC calculation from interface to DIRAC

Is it possible that EOM-CC calculations can be carried out using Dirac-Coulomb Hamiltonian from interface to DIRAC?

with best regards,

Fan Wang

Dear Fan,
Yes, it is. You should prepare a Dirac input for a ground-state CCSD calculation with DC Hamiltonian, run Dirac and the interface program as described in the manual, prepare an mrcc input for an EOM-CC calculation, and run dmrcc.

That would be wonderful! I will be able to compare my EOM-SOC-CCSD results with those using DIRAC and MRCC. Just we still have some problem interfacing DIRAC and MRCC. We will turn to you if we could not work it out. Thank!

Fan