How to use the abipy.abilab.AbinitInput function in abipy

-3.2251946581E-01  9.0284480687E-01 -1.8824324581E-01
        4.0000000000E+00  0.0000000000E+00  0.0000000000E+00
        4.4876385468E+00 -1.4925704575E-01 -8.9716581956E-01
        4.2142401901E+00 -7.8694929117E-01  6.3097154506E-01
        4.3498225718E+00  8.7106686509E-01  4.2709343135E-01
        2.9570301511E+00  5.5992672027E-02 -1.3560839453E-01""", sep=" ").reshape((-1,3))

    structure = abilab.Structure.from_abivars(
        acell=abilab.ArrayWithUnit([10, 5, 5], "ang").to("bohr"),
        rprim=np.eye(3),
        typat=[1, 3, 3, 2, 3, 3, 3, 3], # Type of atoms (H2O + NH3 + H)
        znucl=[8.0, 7.0, 1.0],
        xangst=xangst,
    )

    inp = abilab.AbinitInput(structure, pseudos)

    inp.set_vars(
        # Options for parallelism
        paral_kgb=1,

        # Input/output options
        prtwf=0,
        prtden=0,
        prteig=0,
        prtdensph=0,
        timopt=-1,

        # Convergence parameters
        ecut=20.,
        pawecutdg=40.,

0.89665333333333 0.84174666666666 0.67481666666667
0.93254833333333 0.97751666666666 0.81711666666667
0.91770833333333 0.93970666666666 0.99482666666667
0.92680333333333 0.14577666666666 0.95922666666667
""", sep=" ").reshape((-1,3))

    # Crystal structure.
    structure = abilab.Structure.from_abivars(
        acell=[50.4, 25.2, 25.2],
        rprim=np.eye(3),
        typat=256*[1],
        znucl=22,
        xred=xred,
    )

    inp = abilab.AbinitInput(structure, pseudos)
    inp.set_vars(
        # SCF algorithm
        paral_kgb=1,
        wfoptalg=1,
        fftalg=402,
        #fftalg-302,  # To use FFTW instead of ABINIT FFT

        # Basis set
        ecut=5,
        pawecutdg=10,

        # SCF cycle
        tolvrs=1.e-3,
        nstep=20,

        # K-Points and symmetries

ecut=8,
        istwfk="*1",
        chksymbreak=0,
        #nstep=4,
        nstep=10,
        paral_kgb=paral_kgb,
    )

    # GS run
    scf_inp = abilab.AbinitInput(structure, pseudos=pseudos)
    scf_inp.set_vars(global_vars)
    scf_inp.set_kmesh(ngkpt=[2, 2, 2], shiftk=shiftk)
    scf_inp["tolvrs"] = 1e-6

    # NSCF run
    nscf_inp = abilab.AbinitInput(structure, pseudos=pseudos)
    nscf_inp.set_vars(global_vars)
    nscf_inp.set_kmesh(ngkpt=[2, 2, 2], shiftk=shiftk)

    nscf_inp.set_vars(
        tolwfr=1e-8,
        nband=12,
        nbdbuf=4,
        iscf=-2,
    )

    # BSE run with Model dielectric function and Haydock (only resonant + W + v)
    # Note that SCR file is not needed here
    bse_inp = abilab.AbinitInput(structure, pseudos=pseudos)
    bse_inp.set_vars(global_vars)
    bse_inp.set_kmesh(ngkpt=[2, 2, 2], shiftk=shiftk)

def make_scf_input(paral_kgb=0):
    """
    This function constructs the input file for the GS calculation:
    """
    # Crystalline AlAs: computation of the second derivative of the total energy
    structure = abidata.structure_from_ucell("AlAs")
    pseudos = abidata.pseudos("13al.981214.fhi", "33as.pspnc")
    gs_inp = abilab.AbinitInput(structure, pseudos=pseudos)

    gs_inp.set_vars(
        nband=4,
        ecut=2.0,
        ngkpt=[4, 4, 4],
        nshiftk=4,
        shiftk=[0.0, 0.0, 0.5,   # This gives the usual fcc Monkhorst-Pack grid
                0.0, 0.5, 0.0,
                0.5, 0.0, 0.0,
                0.5, 0.5, 0.5],
        #shiftk=[0, 0, 0],
        paral_kgb=paral_kgb,
        tolvrs=1.0e-10,
        ixc=1,
        diemac=9.0,
        #iomode=3,

global_vars = dict(
        nband=12,
        ecut=12.0,
        pawecutdg=24.0 if paw else None,
        ngkpt=[8, 8, 8],
        nshiftk=4,
        shiftk=[0.0, 0.0, 0.5,   # This gives the usual fcc Monkhorst-Pack grid
                0.0, 0.5, 0.0,
                0.5, 0.0, 0.0,
                0.5, 0.5, 0.5],
        #shiftk=[0, 0, 0],
        paral_kgb=0,
        diemac=9.0,
    )

    gs_inp = abilab.AbinitInput(structure, pseudos=pseudos)
    gs_inp.set_vars(global_vars, tolvrs=1.0e-18)

    # Get the qpoints in the IBZ. Note that here we use a q-mesh with ngkpt=(4,4,4) and shiftk=(0,0,0)
    # i.e. the same parameters used for the k-mesh in gs_inp.
    #qpoints = gs_inp.abiget_ibz(ngkpt=(4,4,4), shiftk=(0,0,0), kptopt=1).points
    #print("get_ibz", qpoints)

    ph_inp = abilab.AbinitInput(structure, pseudos)

    # Response-function calculation for phonons.
    qpt = [0, 0, 0]
    qpt = [0.25, 0, 0]
    ph_inp.set_vars(
        global_vars,
        rfphon=1,        # Will consider phonon-type perturbation
        nqpt=1,          # One wavevector is to be considered

def make_input(paw=False):
    """Build a template input file for GS calculations with k-point parallelism """
    pseudos = abidata.pseudos("14si.pspnc", "8o.pspnc") if not paw else \
              abidata.pseudos("Si.GGA_PBE-JTH-paw.xml", "o.paw")
    structure = abidata.structure_from_ucell("SiO2-alpha")

    inp = abilab.AbinitInput(structure, pseudos)
    inp.set_kmesh(ngkpt=[1,1,1], shiftk=[0,0,0])

    # Global variables
    ecut = 24
    inp.set_vars(
        ecut=ecut,
        pawecutdg=ecut*2 if paw else None,
        nsppol=1,
        nband=28,
        paral_kgb=0,
        #istwfk="*1",
        #fftalg=312,
        timopt=-1,
        chksymbreak=0,
        prtwf=0,
        prtden=0,

0.66666667E+00  0.83333333E+00  0.83333333E+00
  0.83333333E+00  0.66666667E+00  0.83333333E+00
  0.83333333E+00  0.83333333E+00  0.66666667E+00
""", sep=" ").reshape((-1,3))

    # Crystal structure (32 Al atoms)
    structure = abilab.Structure.from_abivars(
        acell=3*[19.215],
        rprim=np.eye(3),
        ntypat=1,
        typat=108*[1],
        znucl=13.0,
        xred=xred,
    )

    inp = abilab.AbinitInput(structure, pseudos)

    inp.set_vars(
        # parallelization
        paral_kgb=1,

        ecut=3.0,
        pawecutdg=6.0 if paw else None,
        nband=300,
        nsppol=1,

        # SCF cycle parameters
        tolvrs=1.e-3,
        nstep=50,

        # K-points and sym
        occopt=3,

global_vars = dict(
        nband=12,
        ecut=12.0,
        pawecutdg=24 if paw else None,
        ngkpt=[8, 8, 8],
        nshiftk=4,
        shiftk=[0.0, 0.0, 0.5,   # This gives the usual fcc Monkhorst-Pack grid
                0.0, 0.5, 0.0,
                0.5, 0.0, 0.0,
                0.5, 0.5, 0.5],
        #shiftk=[0, 0, 0],
        paral_kgb=0,
        diemac=9.0,
    )

    gs_inp = abilab.AbinitInput(structure, pseudos=pseudos)
    gs_inp.set_vars(global_vars, tolvrs=1.0e-18)

    # Get the qpoints in the IBZ. Note that here we use a q-mesh with ngkpt=(4,4,4) and shiftk=(0,0,0)
    # i.e. the same parameters used for the k-mesh in gs_inp.
    #qpoints = gs_inp.abiget_ibz(ngkpt=(4,4,4), shiftk=(0,0,0), kptopt=1).points
    #print("get_ibz", qpoints)

    ph_inp = abilab.AbinitInput(structure, pseudos)

    # Response-function calculation for phonons.
    qpt = [0, 0, 0]
    qpt = [0.25, 0, 0]
    ph_inp.set_vars(
        global_vars,
        rfphon=1,        # Will consider phonon-type perturbation
        nqpt=1,          # One wavevector is to be considered

def make_scf_input(ngkpt, paral_kgb=0):
    """
    This function constructs the input file for the GS calculation for a given IBZ sampling.
    """
    # Crystalline AlAs: computation of the second derivative of the total energy
    structure = abidata.structure_from_ucell("AlAs")
    pseudos = abidata.pseudos("13al.981214.fhi", "33as.pspnc")
    gs_inp = abilab.AbinitInput(structure, pseudos=pseudos)

    gs_inp.set_vars(
        nband=4,
        ecut=2.0,
        ngkpt=ngkpt,
        nshiftk=4,
        shiftk=[0.0, 0.0, 0.5,   # This gives the usual fcc Monkhorst-Pack grid
                0.0, 0.5, 0.0,
                0.5, 0.0, 0.0,
                0.5, 0.5, 0.5],
        #shiftk=[0, 0, 0],
        paral_kgb=paral_kgb,
        tolvrs=1.0e-10,
        ixc=1,
        diemac=9.0,
        #iomode=3,