INPUT_PARAMETERS
suffix    NiO
ntype    3
nbands    40

pseudo_dir ../../../tests/PP_ORB
orbital_dir ../../../tests/PP_ORB

calculation    scf
ecutwfc    100 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_thr    1.0e-6
scf_nmax    200

smearing_method    gaussian
smearing_sigma    0.015
mixing_type    broyden
mixing_beta    0.4
#mixing_gg0    1.5

ks_solver    genelpa
basis_type    lcao
gamma_only    0
symmetry    0
nspin    2

#Parameter DFT+U
dft_plus_u    1
orbital_corr    2 2 -1
hubbard_u    5.0 5.0 0.0

out_bandgap 1
out_chg 1
out_mul 1


### [1] Energy cutoff determines the quality of numerical quadratures in your calculations.
###     So it is strongly recommended to test whether your result (such as converged SCF energies) is
###     converged with respect to the energy cutoff.
