Errors when on create cubgen and molden files about pyscf.github.io HOT 1 CLOSED

# alpha spin contribution
cubegen.orbital(Mol_C, '_B3lyp_mo1_orb.cube', mf.mo_coeff[0,:,0])
cubegen.density(Mol_C, '_B3lyp_dens.cube', mf.make_rdm1()[0])
cubegen.mep(Mol_C, '_B3lyp_pot_mep.cube', mf.make_rdm1()[0])

# beta spin contribution
cubegen.orbital(Mol_C, '_B3lyp_mo1_orb.cube', mf.mo_coeff[1,:,0])
cubegen.density(Mol_C, '_B3lyp_dens.cube', mf.make_rdm1()[1])
cubegen.mep(Mol_C, '_B3lyp_pot_mep.cube', mf.make_rdm1()[1])

# total density 
cubegen.density(Mol_C, '_B3lyp_dens.cube', numpy.sum(mf.make_rdm1(), axis=0))

with open('mo' + '.molden', 'w') as f1:
    molden.header(Mol_C, f1)
    molden.orbital_coeff(Mol_C, f1, mf.mo_coeff[0], ene=mf.mo_energy[0], occ=mf.mo_occ[0])
    molden.orbital_coeff(Mol_C, f1, mf.mo_coeff[1], spin='Beta', ene=mf.mo_energy[1], occ=mf.mo_occ[1])