#   HCP Zr
 acell  2*3.1866 5.079489 Angstrom
 rprim  0.5   -sqrt(0.75)       0
        0.5    sqrt(0.75)       0    # This is to test the use of sqrt
        0        0              1
 nband 12
 ecut 25 
 tsmear 0.2 eV
 ixc 2
 iscf 5
 natom 2
 ntypat 1
 typat 1 1
 kptopt 1

shiftk 0 0 0.5
nsym 12
symrel  
  1  0  0  0  1  0  0  0  1
  0  1  0 -1 -1  0  0  0  1
 -1 -1  0  1  0  0  0  0  1
 -1  0  0  1  1  0  0  0  1
  0 -1  0 -1  0  0  0  0  1
  1  1  0  0 -1  0  0  0  1
  1  1  0  0 -1  0  0  0 -1
 -1  0  0  1  1  0  0  0 -1
  0 -1  0 -1  0  0  0  0 -1
 -1 -1  0  1  0  0  0  0 -1
  1  0  0  0  1  0  0  0 -1
  0  1  0 -1 -1  0  0  0 -1
tnons
    0.0      0.0      0.0
    0.0      0.0      0.0
    0.0      0.0      0.0
    0.0      0.0      0.0
    0.0      0.0      0.0
    0.0      0.0      0.0
    0.0      0.0      0.5
    0.0      0.0      0.5
    0.0      0.0      0.5
    0.0      0.0      0.5
    0.0      0.0      0.5
    0.0      0.0      0.5

 nstep 15 
  occopt 3 
 toldfe  1.0d-10
 tolmxf 5.d-6
  xred  1/3
       2/3
       0.25

       2/3
       1/3
       0.75

 znucl 40.0