CRYSTAL 
0 0 0
221
1.6839861384 1.6839861384 1.6839861384 90 90 90
1
1     0.0          0.0 0.0 
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
12 0 24
TOLDEE
7
FMIXING 
30
SMEAR
0.000001
END