#! Various basis set extrapolation tests

memory 250 mb

molecule {
Li

}

set globals {
    reference rohf
    scf_type pk
    df_scf_guess false
}

e_cbs = cbs('scf',scf_basis='aug-cc-pV[DTQ]Z',scf_scheme=scf_xtpl_helgaker_3)

clean()


# Here's another example
molecule {
H
H 1 R

R = 1
}

set globals {
    reference rhf
    guess core
    mp2_type conv
    df_scf_guess true
}

e_cbs = cbs('mp2',corl_basis='cc-pV[TQ]Z',corl_scheme=corl_xtpl_helgaker_2,delta_wfn='ccsd',delta_basis='cc-pV[DT]Z',delta_scheme=corl_xtpl_helgaker_2)

clean()


# One final example
molecule {
He
}

set globals {
    reference rhf
    df_scf_guess false
}

e_cbs = cbs(scf_basis='aug-cc-pV[DTQ]Z',scf_scheme=scf_xtpl_helgaker_3,name='ccsd',corl_basis='aug-cc-pV[DT]Z',corl_scheme=corl_xtpl_helgaker_2)


clean()

# Example with default extrapolation schemes
e_cbs = cbs('mp2', corl_basis='cc-pv[dt]z', delta_wfn='mp5', delta_basis='cc-pVDZ')



