 &control
    calculation = 'bands',
    prefix='gaas_8atoms',
    tstress = .true.
    tprnfor = .true.
    pseudo_dir='/home/maofei/espresso/pseudo'
    outdir = '/home/maofei/workdir/qe/outdir',
    disk_io='high',
 /
 &system    
    ibrav=  1, celldm(1) =10.683, nat=  8, ntyp= 2,
    ecutwfc = 60.0, nbnd = 60,
    occupations='tetrahedra'
 /
 &electrons
    diagonalization=cg,
    electron_maxstep=300,
    mixing_mode = 'plain'
    mixing_beta = 0.7
    conv_thr =  1.0d-8
 /
ATOMIC_SPECIES 
 Ga   69.72  Ga.pbe-d-mt_fhi.UPF
 As   74.92  As.pbe-mt_fhi.UPF
ATOMIC_POSITIONS
 Ga 0.0 0.0 0.0
 Ga 0.5 0.5 0.0
 Ga 0.5 0.0 0.5
 Ga 0.0 0.5 0.5
 As 0.25 0.25 0.25
 As 0.25 0.75 0.75
 As 0.75 0.25 0.75
 As 0.75 0.75 0.25
K_POINTS tpiba_b
 5
0.0 0.0 0.0      8   # G
0.0 0.0 1.0      8   # X
0.5 0.0 1.0      8   # W
0.75 0.75 0.0    8   # K
0.5 0.5 0.5      8   # L
