INPUT_PARAMETERS
#Parameters (1.General)
suffix                          autotest
calculation                    scf	#test; scf; relax; nscf; get_wf; get_pchg;
symmetry                       0	#turn symmetry on or off

#Parameters (2.PW)
ecutwfc                        100	##energy cutoff for wave functions
scf_thr                            1e-7	#charge density error

#Parameters (3.Relaxation)
scf_nmax                          100	##number of electron iterations
cal_stress                         1	#calculate the cal_stress or not
cal_force                           1

#Parameters (4.LCAO)
basis_type                     pw	#PW; LCAO in pw; LCAO

#Parameters (5.Smearing)
smearing_method                       fixed	#type of smearing_method: gauss; fd; fixed; mp; mp2; mv
#smearing_sigma                          0.002	#energy range for smearing_method

#Parameters (6.Charge Mixing)
mixing_type                    broyden	#plain; kerker; pulay; pulay-kerker; broyden
mixing_beta                    0.7	#mixing parameter: 0 means no new charge

bx 5
by 5
bz 5
