INPUT_PARAMETERS
#Parameters     (General)
suffix          DIA-50

calculation     scf
esolver_type    ksdft
pseudo_dir      ./
orbital_dir     ./
nbands          45
symmetry        1
cal_force       1
cal_stress      1

#Parameters (Accuracy)
ecutwfc         100 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_thr         1e-6
scf_nmax        100
basis_type      lcao
ks_solver       genelpa
gamma_only      0
smearing_method gauss
smearing_sigma  0.01
mixing_type     broyden
mixing_beta     0.7

stru_file       STRU-001


### [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.
