INPUT_PARAMETERS
#Parameters	(General)
suffix	            autotest
pseudo_dir          ../tools/PP_ORB/
ntype               2
#nbands              40
pseudo_type         upf201
gamma_only          0


calculation         scf
symmetry             1

#test_force          1
relax_nmax               1
force_thr_ev        0.001
out_level           ie
relax_method           cg
out_chg          1
#out_band            1
#init_chg        file

smearing_method            gaussian
smearing_sigma             0.001
#Parameters (3.PW)
ecutwfc             20
scf_thr                 1e-6
scf_nmax               100


#cal_stress              1
#noncolin             1
lspinorb             1

#Parameters (LCAO)
basis_type lcao
ks_solver           genelpa
chg_extrap       second-order
out_dm             0
pw_diag_thr                0.00001


mixing_type         pulay
mixing_beta         0.4
mixing_gg0          1.5

