INPUT_PARAMETERS
pseudo_dir        ../../../tests/PP_ORB
dft_functional    pbe
symmetry	  0
cal_force	  1
calculation       scf
ecutwfc		  60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_nmax	  200
scf_thr		  1.0e-7
basis_type	  pw
gamma_only        1 ### Abacus will generate/overwrite a KPT file when gamma_only is set to 1.
smearing_method	  gauss
smearing_sigma	  0.015
mixing_type       broyden
mixing_beta       0.1

#Parameters (compensating charge)
gate_flag           1
zgate               0.7
block_down          0.65
block_up            0.75
block_height        0.01
block               1
nelec               217


### [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.
