 &control
    calculation = 'scf'
    tprnfor=.true.
    tstress=.true.
 /
 &system
    ibrav= 1, celldm(1)= 7.85,
    nat= 4, ntyp= 1,
    ecutwfc= 30.0, ecutrho= 250.0,
    occupations='smearing', smearing='mp', degauss=0.02,
    lda_plus_U = .true., Hubbard_U(1) = 4.4,
 /
 &electrons
    mixing_beta= 0.7,
    conv_thr= 1.d-9
 /
ATOMIC_SPECIES
 Au  196.966  Au.pz-rrkjus_aewfc.UPF
ATOMIC_POSITIONS {crystal}
 Au 0.04 0.00 0.00 
 Au 0.00 0.50 0.50 
 Au 0.50 0.00 0.50 
 Au 0.50 0.50 0.00 
K_POINTS {automatic}
4 4 4 1 1 1
