CRYSTAL
0 0 0
1
500 500 500  90 90 90
0
ATOMINSE
6
1      8.419930692000E-01  0.000000000000E+00  0.000000000000E+00
1     -8.419930692000E-01  0.000000000000E+00  0.000000000000E+00
1     -4.209965346000E-01  7.291873877376E-01  0.000000000000E+00
1     -4.209965346000E-01 -7.291873877376E-01  0.000000000000E+00
1      4.209965346000E-01  7.291873877376E-01  0.000000000000E+00
1      4.209965346000E-01 -7.291873877376E-01  0.000000000000E+00
FRACTION
ATOMDISP
6
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 
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