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

calculation         scf
symmetry            0

#test_force         1
relax_nmax               1
force_thr_ev        0.001
out_level           ie
relax_method         cg

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

#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_ndim         5

cal_force 1
cal_stress 1
