INPUT_PARAMETERS
suffix      PbTiO3
ntype       3
#nbands      25
ecutwfc     50
scf_nmax       20
symmetry    0
pw_diag_thr        1e-10
smearing_method    gaussian
smearing_sigma       0.002
calculation nscf
basis_type  lcao
init_chg  file
berry_phase   1
gdir          3
