&control
   calculation = 'vc-relax'
   restart_mode='from_scratch',
   prefix='graphite',
   tstress = .true.
   tprnfor = .true.
   pseudo_dir = '/u/cm/degironc/QE/espresso/pseudo',
   outdir='/u/cm/degironc/tmp'

   forc_conv_thr = 1.0D-3

/

&system
    ibrav           = 4 
    celldm(1)       = 4.6411700000
    celldm(3)       = 2.7264000000
    
    nat             = 4 
    ntyp            = 1

    occupations     = 'fixed'
    smearing        = 'methfessel-paxton'
    degauss         = 0.02

    ecutwfc         = 30.0
    ecutrho         = 180.0

    input_dft  	    = 'vdW-DF'
/

&electrons
    conv_thr        = 1.0d-8
/
&ions
/
&cell
    press_conv_thr  = 0.5D0
    press           = 0.D0
    cell_dynamics   = 'bfgs'
    cell_dofree     = 'z'
/

ATOMIC_SPECIES
C   12.00   C.pbe-rrkjus.UPF

ATOMIC_POSITIONS {alat}
C      0.0000000000 0.0000000000 0.0000000000 
C      0.0000000000 0.5773502692 0.0000000000
C      0.0000000000 0.0000000000 1.3632000000
C      0.5000000000 0.2886751346 1.3632000000

K_POINTS automatic
4 4 4 1 1 1
