 &control
    prefix='Mg3Sb2',
    pseudo_dir = './',
    outdir='./'
    wf_collect=.true. 
    etot_conv_thr = 1.0d-8,
/
 &system    
    ibrav=  4, 
    celldm(1) = 8.6767152,
    celldm(3) = 1.5818114,
    nat=  5,
    ntyp= 2,
    ecutwfc = 100.0, 
 /
 &electrons
    conv_thr = 1.0d-8,
    mixing_beta = 0.7,
 /
ATOMIC_SPECIES
 Mg  24.305  Mg.upf
 Sb  121.76  Sb.upf
ATOMIC_POSITIONS crystal
 Mg 0      0      0
 Mg 1/3 2/3 0.3679670359 
 Mg 2/3 1/3 0.6320329641
 Sb 1/3 2/3 0.7745210172
 Sb 2/3 1/3 0.2254789828
K_POINTS automatic
   12 12 8 0 0 0
