 &control
    calculation='scf',
    pseudo_dir = '/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/pseudo/',
    outdir='/Users/calandra/Pw/SVN_9_7_2015/espresso/XSpectra/examples/results/tmp/',
    prefix='diamond',
 /
 &system
    ibrav = 1,
    celldm(1) = 6.740256,
    nat=8,
    ntyp=2,
    nbnd=16,
    ecutwfc=40.0,
 /
 &electrons
    mixing_beta = 0.3,
 /
ATOMIC_SPECIES
C_h 12.0 C_PBE_TM_2pj.UPF
C 12.0 C_PBE_TM_2pj.UPF
ATOMIC_POSITIONS crystal
C_h 0.0 0.0 0.0
C 0.0 0.5 0.5
C 0.5 0.0 0.5
C 0.5 0.5 0.0
C 0.75 0.75 0.25
C 0.75 0.25 0.75
C 0.25 0.75 0.75
C 0.25 0.25 0.25
K_POINTS automatic
4 4 4 0 0 0
