&CONTROL
  calculation  = "relax",
  restart_mode = 'from_scratch' ,
    wf_collect = .false. ,
        outdir = '/home/jyhuang/WS_QE/scratch/' ,
        wfcdir = '/home/jyhuang/WS_QE/scratch/' ,
    pseudo_dir = '/home/jyhuang/WS_QE/pseudo/',
        prefix = 'al001' ,
   lkpoint_dir = .false. ,
       tprnfor = .true. ,
/

&SYSTEM
  nosym       = .TRUE.,
  ibrav       = 6,
  celldm(1)   = 5.3033D0, 
  celldm(3)   = 7.D0,
  nat         = 5,
  ntyp        = 1,  
  ecutwfc     = 20.D0,
  occupations = "smearing",
  smearing    = "m-p",
  degauss     = 0.05D0,
/

&ELECTRONS
  conv_thr    = 1.D-6,
  mixing_mode = "local-TF",
  mixing_beta = 0.5D0,
/

&IONS
  bfgs_ndim         = 3,
  upscale           = 100.D0,
  pot_extrapolation = "second_order",
  wfc_extrapolation = "second_order",
/

ATOMIC_SPECIES
Al  1.D0  Al.vbc.UPF

ATOMIC_POSITIONS
Al   0.0000000  0.0000000  2.828426
Al   0.5000000  0.5000000  2.121320
Al   0.0000000  0.0000000  1.414213
Al   0.5000000  0.5000000  0.707107  0 0 0
Al   0.0000000  0.0000000  0.000000  0 0 0

K_POINTS
3
0.125  0.125  0.0  1.0
0.125  0.375  0.0  2.0
0.375  0.375  0.0  1.0