INPUT_PARAMETERS
#Parameters (1.General)
suffix			autotest
calculation     scf
nbands			16
symmetry		1
pseudo_dir	../../../tests/PP_ORB
orbital_dir	../../../tests/PP_ORB
gamma_only      1 ### Abacus will generate/overwrite a KPT file when gamma_only is set to 1.

#Parameters (2.Iteration)
ecutwfc			 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
scf_thr				1e-8
scf_nmax			100


#Parameters (3.Basis)
basis_type		lcao

#Parameters (4.Smearing)
smearing_method		gauss
smearing_sigma			0.002

out_mat_hs                  1

#Parameters (5.Mixing)
mixing_type		broyden
mixing_beta		0.7
mixing_gg0      1.5

ks_solver       genelpa


### [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.
