&control
    calculation = 'nscf'
    restart_mode='from_scratch',
    prefix='symm',
    outdir = '/home/jyhuang/WS_QE/scratch/' ,
    wfcdir = '/home/jyhuang/WS_QE/scratch/' ,
    pseudo_dir = '/home/jyhuang/WS_QE/pseudo/' ,
    lberry=.true. ,
    gdir          = 3 ,
    nppstr        = 10
 /
&system
    ibrav= 6,  
    nat= 5, 
    ntyp= 3,
    celldm(1)=7.47058, 
    celldm(3)=1.02355
    ecutwfc =30.0, 
    ecutrho=240.0,
    occupations='fixed', 
    nbnd=20
 /
 &electrons
    mixing_mode = 'plain'
    mixing_beta = 0.7
    conv_thr =  1.0d-8
 /
 &ions
 /
 &cell
 /

ATOMIC_SPECIES
Ba    137.34	Ba.pbe-nsp-van.UPF 
Ti    47.90     Ti.pbe-sp-van_ak.UPF
O     16.0      O.pbe-rrkjus.UPF

ATOMIC_POSITIONS {crystal}
 Ba    0.00000000000000    0.00000000000000    0.00000000000000
 Ti    0.50000000000000    0.50000000000000    0.50000000000000
  O    0.50000000000000    0.50000000000000    0.00000000000000
  O    0.50000000000000    0.00000000000000    0.50000000000000
  O    0.00000000000000    0.50000000000000    0.50000000000000

K_POINTS {automatic}
5 5 10   0 0 0