1. Enter in qpsh mode for auto completion

    ~/your_path_to_qp/bin/qpsh

1. Create an EZFIO DATA BASE from .xyz

    qp create_ezfio -b 6-31g hcn.xyz
    # output:: hcn.ezfio DATA BASE

1. Run a HF calculation on the EZFIO

    qp run scf | tee output_file.scf.out
    # output:: create MO basis in the EZFIO

1. Freeze the 1s orbitals in the EZFIO

    qp set_frozen_core

1. Run the CIPSI algorithm on the EZFIO

    qp run fci | tee output_file.fci.out

1. Check the CONVERGENCE of the ENERGY

    qp_e_conv_fci hcn.ezfio
    # output:: hcn.ezfio.1.conv and pdf

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