 &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='Cu',
 /
 &system
    ibrav=  2,  
    celldm(1) = 6.8048679, 
    ecutwfc = 20.,
    ecutrho = 200.,
    nat= 1,
    ntyp= 1,
    nbnd=20,
    occupations="smearing",
    smearing='mp', 
    degauss=0.03,  
/
 &electrons
    diagonalization='david',
    mixing_mode = 'plain',
    conv_thr =  1.0d-6,
 /&end
ATOMIC_SPECIES
Cu  1.0 Cu_US_PBE_3pj_lowE.UPF
K_POINTS automatic
3 3 3 0 0 0
ATOMIC_POSITIONS crystal
Cu  0.0  0.0  0.0
