[QE-users] supercell

[Neelam Swarnkar]

Dear expert and all

I am making a supercell of dim 2 1 1, i already installed  phonopy-2.6.0
version , but it is showing me an error.

this is my input file


&control
    calculation = 'scf',
    prefix = '2d_exc1',
    outdir = './tmp/'
    pseudo_dir = './'


 /
 &system
    ibrav =  0,
    celldm(1)= 23.1132402,
    celldm(3)= 1.016106614,
    nat =  12,
    ntyp = 2,
    ecutwfc = 27,
    ecutrho = 136

 /
 &electrons
    mixing_beta = 0.6
 /

 ATOMIC_SPECIES
 Zn 60.00  Zn.pbe-dnl-kjpaw_psl.1.0.0.UPF
 Sb 102.00 Sb.pbe-n-kjpaw_psl.1.0.0.UPF


 ATOMIC_POSITIONS crystal
 Zn  1.000000   0.866025    1.016107
 Zn  1.016107   1.000000    0.866025
 Zn  0.866025   1.016107    1.000000
 Zn -0.366025  -0.500000   -0.516107
 Zn -0.516107  -0.366025   -0.500000
 Zn -0.500000  -0.516107   -0.366025
 Sb -1.000000  -0.866025   -1.016107
 Sb -1.016107  -1.000000   -0.866025
 Sb -0.866025  -1.016107   -1.000000
 Sb  0.366025   0.500000    0.516107
 Sb  0.516107   0.366025    0.500000
 Sb  0.500000   0.516107    0.366025


  K_POINTS (automatic)

   4 4 4 0 0 0


 CELL_PARAMETERS angstrom

12.2309951090    0.0000000000   0.0000000000
        -6.1154975550   10.5923524780   0.0000000000
  0.0000000000    0.0000000000  12.4279950260

I don't know what's wrong in my input file.
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