go  data/cu_nbzq
 fcc    abohr 1.0 1.0, , , ,
 0.001  1.0  sra  gga91 nmag  2nd
  update   nbzq  200 0.02
 1
 Cu  1  0  0  2   29   100
 1 
   0.00000  0.00000  0.00000   Cu