&control
    title = 'Calcite',
    calculation='vc-relax'
    restart_mode='from_scratch',
    nstep = 200,
    disk_io = 'none',
    tprnfor = .true.,
    tstress = .true.,
    prefix='R_5',
    pseudo_dir = '/sh/PWSCF_Pseudo',
    outdir='/sh/tmp/calcite',
    verbosity = 'high',
    etot_conv_thr = 1.0D-6,
    forc_conv_thr = 1.0D-4
 /
 &system
                       ibrav = 5,
                    celldm(1) = 9.802062999352184,
                    celldm(4) = 0.7046815327621145,
                          nat = 10,
                         ntyp = 3,
                       nspin = 1,
                     ecutwfc = 20.0,
                     ecutrho = 200.0,
 /
 &ELECTRONS
           electron_maxstep  =  200  ,
                   conv_thr  =  1.0d-8,
                mixing_beta  = 0.3,
 /
 &IONS
          ion_dynamics='bfgs'
/
 &CELL
                       press = 0.0,
               cell_dynamics = 'bfgs',
 /
ATOMIC_SPECIES
 Ca   1.000  Ca.pbe-nsp-van.UPF
 O    1.000  O.pbe-rrkjus.UPF
 C    1.000  C.pbe-rrkjus.UPF
ATOMIC_POSITIONS  {crystal}
Ca       0.000000000   0.000000000  -0.000000000
Ca       0.500000000   0.500000000   0.500000000
C        0.250000000   0.250000000   0.250000000
C        0.750000000   0.750000000   0.750000000
O       -0.007898769   0.507898769   0.250000000
O        0.507898769   0.250000000  -0.007898769
O        0.250000000  -0.007898769   0.507898769
O        0.007898769   0.492101231   0.750000000
O        0.492101231   0.750000000   0.007898769
O        0.750000000   0.007898769   0.492101231
K_POINTS automatic
 2 2 2 0 0 0