[Pw_forum] Supercell for fcc lattice (ibrav=2)

[Uttam Paliwal]

Hi
How to construct and imply a 2x2x2 supercell for ibrav=2 i.e. cubic fcc
lattice of rock-salt NaCl type structure having space group 225.
also suggest how to get atomic position for it. My single unit cell input
file is as

&CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/OUT PUT DIR' ,
                  pseudo_dir = '/TEMP' ,
                      prefix = 'ppppp' ,

 /
 &SYSTEM
                       ibrav = 2,
                   celldm(1) = 9.07124,
                         nat = 2,
                        ntyp = 2,
                     ecutwfc = 60.0 ,
                     ecutrho = 500.0 ,
                 space_group = 225 ,
 /
 &ELECTRONS
                    conv_thr = 1.0d-8 ,
                 mixing_mode = 'plain' ,

 /
ATOMIC_SPECIES
   Cd  112.41100  Cd.pbe-dn-rrkjus_psl.0.3.1.UPF
    O   16.00000  O_pbe_v1.2.uspp.F.UPF
ATOMIC_POSITIONS crystal_sg
   Cd      0.000000000    0.000000000    0.000000000
    O      0.500000000    0.500000000    0.500000000
K_POINTS automatic
  12 12 12   0 0 0
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