# Description
 MacKay-Cluster (54 atoms)  from i-AlMnSi.139

 #Definition of the unit cell
 acell  23.9616013  23.9616013  23.9616013
 chkprim 0
 rprim  1.0  0.0  0.0
        0.0  1.0  0.0
        0.0  0.0  1.0

 #Definition of the atom types
 ntype 2
 znucl 13 25

 #Definition of the atoms
 natom 54
 type 42*1 12*2
 xred

  0.654508  0.595492  0.500000
  0.654508  0.404509  0.500000
  0.345491  0.404509  0.500000
  0.345491  0.595492  0.500000
  0.595492  0.500000  0.654508
  0.595492  0.500000  0.345491
  0.404509  0.500000  0.654508
  0.404509  0.500000  0.345491
  0.500000  0.654508  0.595492
  0.500000  0.345491  0.404509
  0.500000  0.345491  0.595492
  0.500000  0.654508  0.404509
  0.500000  0.118034  0.500000
  0.500000  0.881966  0.500000
  0.881966  0.500000  0.500000
  0.118034  0.500000  0.500000
  0.500000  0.500000  0.881966
  0.500000  0.500000  0.118034
  0.809017  0.618034  0.690983
  0.809017  0.618034  0.309017
  0.690983  0.809017  0.618034
  0.690983  0.809017  0.381966
  0.809017  0.381966  0.690983
  0.809017  0.381966  0.309017
  0.690983  0.190983  0.381966
  0.690983  0.190983  0.618034
  0.190983  0.381966  0.690983
  0.190983  0.381966  0.309017
  0.309017  0.190983  0.381966
  0.309017  0.190983  0.618034
  0.190983  0.618034  0.690983
  0.190983  0.618034  0.309017
  0.309017  0.809017  0.618034
  0.309017  0.809017  0.381966
  0.618034  0.690983  0.809017
  0.618034  0.309017  0.809017
  0.618034  0.309017  0.190983
  0.618034  0.690983  0.190983
  0.381966  0.690983  0.809017
  0.381966  0.309017  0.809017
  0.381966  0.309017  0.190983
  0.381966  0.690983  0.190983
  0.809017  0.690983  0.500000
  0.809017  0.309017  0.500000
  0.190983  0.309017  0.500000
  0.190983  0.690983  0.500000
  0.690983  0.500000  0.809017
  0.690983  0.500000  0.190983
  0.309017  0.500000  0.809017
  0.309017  0.500000  0.190983
  0.500000  0.809017  0.690983
  0.500000  0.190983  0.309017
  0.500000  0.190983  0.690983
  0.500000  0.809017  0.309017

 #Definition of the planewave basis set
 ecut 15

 #Definition of the k-point grid
 nkpt 1
 nband 150

 #Definition of the SCF procedure
 nstep 50
 toldfe 1.0d-4

 #Output
 occopt 7
 prtden 1