CRYSTAL
0 0 0
1
500 500 500  90 90 90
0
ATOMINSE
9
1      1.2309115203169      0.0000000000000 0.0
1      0.9429329301099      0.7912146738801 0.0
1      0.2137455423723      1.2122112084801 0.0
1     -0.6154557601584      1.0660006464054 0.0
1     -1.1566784724821      0.4209965346000 0.0
1     -1.1566784724821     -0.4209965346000 0.0
1     -0.6154557601584     -1.0660006464054 0.0
1      0.2137455423723     -1.2122112084801 0.0
1      0.9429329301099     -0.7912146738801 0.0
FRACTION
ATOMDISP
9
1 0.5 0.5 0.5 
2 0.5 0.5 0.5 
3 0.5 0.5 0.5 
4 0.5 0.5 0.5 
5 0.5 0.5 0.5 
6 0.5 0.5 0.5 
7 0.5 0.5 0.5 
8 0.5 0.5 0.5 
9 0.5 0.5 0.5 
END
1 1
0 0  4  1.00 1.0
       18.7311370  0.01273
       2.82539370  0.09086
      0.640121700  0.37128
      0.161277800  0.64895
99 0
END
PRINTOUT
ATOMICWF
EIGENVAL
1
EIGENVEC
1
END
END
6 0 12
TOLDEE
7
FMIXING 
30
SMEAR
0.000001
END