INPUT_PARAMETERS
# Created by Atomic Simulation Enviroment
ntype               1
calculation         scf
pseudo_rcut         10.0
pseudo_mesh         1
ecutwfc             80
basis_type          pw
ks_solver           cg
smearing_method     gaussian
smearing_sigma      0.01
mixing_type         pulay
mixing_beta         0.7
scf_nmax            100
scf_thr             1e-08
cal_force           1
force_thr           0.001
cal_stress          1
out_stru            1
stru_file ./STRU-001
