 &control
    calculation = 'scf'
    restart_mode='from_scratch',
    prefix='L1_0U_1_4',
    pseudo_dir = '/app/espresso/pseudo/',
    outdir='./L1_0U_1_4/',
 /
 &system
    ibrav=  0, celldm(1) =1.0, nat= 8, ntyp= 2,
    ecutwfc =40.0,
    ecutrho = 400.0,
    occupations='smearing',
    smearing='fermi-dirac'
    degauss=0.005
 /
 &electrons
    diagonalization='david'
    mixing_beta = 0.7
    conv_thr =  1.0d-10
 /
ATOMIC_SPECIES
 Ir  192.217 Ir.pbe-n-rrkjus.UPF
 V   50.9415 V.pbe-n-van.UPF
K_POINTS (automatic)
 12 06 06  0 0 0
CELL_PARAMETERS (alat)
     5.21947856004048     0.00000000000000     0.00000000000000
     0.00000000000000    10.43895712008096    -6.93245504400000
     0.00000000000000    10.43895712008096     6.93245504400000
ATOMIC_POSITIONS (bohr)
Ir   0.00000000000000    10.43895712008096     0.00000000000000
Ir   0.00000000000000     0.00000000000000     0.00000000000000
Ir   0.00000000000000     5.21947856004048     0.00000000000000
Ir   0.00000000000000    15.65843568012144     0.00000000000000
V    2.60973928002024    13.04869640010120    -3.46622752200000
V    2.60973928002024    13.04869640010120     3.46622752200000
V    2.60973928002024     7.82921784006072    -3.46622752200000
V    2.60973928002024     7.82921784006072     3.46622752200000
